[1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

C190H255N43O18S — CID 158562032

IUPAC[1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
SMILESC=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OC4CCN(C5CC5)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCN(C4CC4)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OC4CCS(=O)(=O)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OCC(=O)N4CCCC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OCC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/2C31H44N6O2.2C27H33N7O2.2C25H34N6O3.C24H33N5O4S/c1-23(2)32-29-9-16-37(33-29)30(38)35-17-11-31(12-18-35)10-4-13-36(31)22-25-19-24(3)20-28(21-25)39-27-7-14-34(15-8-27)26-5-6-26;1-23(2)32-29-11-18-37(33-29)30(38)35-19-13-31(14-20-35)12-4-15-36(31)22-25-6-5-24(3)21-28(25)39-27-9-16-34(17-10-27)26-7-8-26;1-20(2)30-25-7-12-34(31-25)26(35)32-13-9-27(10-14-32)8-4-11-33(27)18-22-6-5-21(3)15-24(22)36-23-16-28-19-29-17-23;1-20(2)30-25-5-10-34(31-25)26(35)32-11-7-27(8-12-32)6-4-9-33(27)18-22-13-21(3)14-23(15-22)36-24-16-28-19-29-17-24;1-19(2)26-23-8-11-31(27-23)25(33)30-14-12-28(13-15-30)17-21-7-6-20(3)16-22(21)34-18-24(32)29-9-4-5-10-29;1-19(2)26-23-6-9-31(27-23)25(33)30-12-10-28(11-13-30)17-21-14-20(3)15-22(16-21)34-18-24(32)29-7-4-5-8-29;1-18(2)25-23-4-7-29(26-23)24(30)28-10-8-27(9-11-28)17-20-14-19(3)15-22(16-20)33-21-5-12-34(31,32)13-6-21/h9,16,19-21,26-27H,1,4-8,10-15,17-18,22H2,2-3H3,(H,32,33);5-6,11,18,21,26-27H,1,4,7-10,12-17,19-20,22H2,2-3H3,(H,32,33);5-7,12,15-17,19H,1,4,8-11,13-14,18H2,2-3H3,(H,30,31);5,10,13-17,19H,1,4,6-9,11-12,18H2,2-3H3,(H,30,31);6-8,11,16H,1,4-5,9-10,12-15,17-18H2,2-3H3,(H,26,27);6,9,14-16H,1,4-5,7-8,10-13,17-18H2,2-3H3,(H,26,27);4,7,14-16,21H,1,5-6,8-13,17H2,2-3H3,(H,25,26)
InChIKeyHQZSSWKJXYPZMK-UHFFFAOYSA-N
MW3461.48 g/mol
LogP28.85
Rot. Bonds46

About [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

[1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (PubChem CID 158562032) has the molecular formula C190H255N43O18S and a molecular weight of 3461.48 g/mol. Its IUPAC name is [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
PubChem CID158562032
Molecular FormulaC190H255N43O18S
Molecular Weight3461.48 g/mol
Exact Mass3459.01
IUPAC Name[1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
SMILESC=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OC4CCN(C5CC5)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCN(C4CC4)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OC4CCS(=O)(=O)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OCC(=O)N4CCCC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OCC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/2C31H44N6O2.2C27H33N7O2.2C25H34N6O3.C24H33N5O4S/c1-23(2)32-29-9-16-37(33-29)30(38)35-17-11-31(12-18-35)10-4-13-36(31)22-25-19-24(3)20-28(21-25)39-27-7-14-34(15-8-27)26-5-6-26;1-23(2)32-29-11-18-37(33-29)30(38)35-19-13-31(14-20-35)12-4-15-36(31)22-25-6-5-24(3)21-28(25)39-27-9-16-34(17-10-27)26-7-8-26;1-20(2)30-25-7-12-34(31-25)26(35)32-13-9-27(10-14-32)8-4-11-33(27)18-22-6-5-21(3)15-24(22)36-23-16-28-19-29-17-23;1-20(2)30-25-5-10-34(31-25)26(35)32-11-7-27(8-12-32)6-4-9-33(27)18-22-13-21(3)14-23(15-22)36-24-16-28-19-29-17-24;1-19(2)26-23-8-11-31(27-23)25(33)30-14-12-28(13-15-30)17-21-7-6-20(3)16-22(21)34-18-24(32)29-9-4-5-10-29;1-19(2)26-23-6-9-31(27-23)25(33)30-12-10-28(11-13-30)17-21-14-20(3)15-22(16-21)34-18-24(32)29-7-4-5-8-29;1-18(2)25-23-4-7-29(26-23)24(30)28-10-8-27(9-11-28)17-20-14-19(3)15-22(16-20)33-21-5-12-34(31,32)13-6-21/h9,16,19-21,26-27H,1,4-8,10-15,17-18,22H2,2-3H3,(H,32,33);5-6,11,18,21,26-27H,1,4,7-10,12-17,19-20,22H2,2-3H3,(H,32,33);5-7,12,15-17,19H,1,4,8-11,13-14,18H2,2-3H3,(H,30,31);5,10,13-17,19H,1,4,6-9,11-12,18H2,2-3H3,(H,30,31);6-8,11,16H,1,4-5,9-10,12-15,17-18H2,2-3H3,(H,26,27);6,9,14-16H,1,4-5,7-8,10-13,17-18H2,2-3H3,(H,26,27);4,7,14-16,21H,1,5-6,8-13,17H2,2-3H3,(H,25,26)
InChIKeyHQZSSWKJXYPZMK-UHFFFAOYSA-N
XLogP28.85
TPSA571.21 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds46
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003461.48
LogP ≤ 528.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
The IUPAC name of [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (CID 158562032) is [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.
What is the SMILES notation for [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
The canonical SMILES for [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(OC4CCN(C5CC5)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCN(C4CC4)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OC4CCS(=O)(=O)CC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3cc(C)cc(OCC(=O)N4CCCC4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(C)cc3OCC(=O)N3CCCC3)CC2)n1.
What is the InChIKey of [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
The InChIKey is HQZSSWKJXYPZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H44N6O2.2C27H33N7O2.2C25H34N6O3.C24H33N5O4S/c1-23(2)32-29-9-16-37(33-29)30(38)35-17-11-31(12-18-35)10-4-13-36(31)22-25-19-24(3)20-28(21-25)39-27-7-14-34(15-8-27)26-5-6-26;1-23(2)32-29-11-18-37(33-29)30(38)35-19-13-31(14-20-35)12-4-15-36(31)22-25-6-5-24(3)21-28(25)39-27-9-16-34(17-10-27)26-7-8-26;1-20(2)30-25-7-12-34(31-25)26(35)32-13-9-27(10-14-32)8-4-11-33(27)18-22-6-5-21(3)15-24(22)36-23-16-28-19-29-17-23;1-20(2)30-25-5-10-34(31-25)26(35)32-11-7-27(8-12-32)6-4-9-33(27)18-22-13-21(3)14-23(15-22)36-24-16-28-19-29-17-24;1-19(2)26-23-8-11-31(27-23)25(33)30-14-12-28(13-15-30)17-21-7-6-20(3)16-22(21)34-18-24(32)29-9-4-5-10-29;1-19(2)26-23-6-9-31(27-23)25(33)30-12-10-28(11-13-30)17-21-14-20(3)15-22(16-21)34-18-24(32)29-7-4-5-8-29;1-18(2)25-23-4-7-29(26-23)24(30)28-10-8-27(9-11-28)17-20-14-19(3)15-22(16-20)33-21-5-12-34(31,32)13-6-21/h9,16,19-21,26-27H,1,4-8,10-15,17-18,22H2,2-3H3,(H,32,33);5-6,11,18,21,26-27H,1,4,7-10,12-17,19-20,22H2,2-3H3,(H,32,33);5-7,12,15-17,19H,1,4,8-11,13-14,18H2,2-3H3,(H,30,31);5,10,13-17,19H,1,4,6-9,11-12,18H2,2-3H3,(H,30,31);6-8,11,16H,1,4-5,9-10,12-15,17-18H2,2-3H3,(H,26,27);6,9,14-16H,1,4-5,7-8,10-13,17-18H2,2-3H3,(H,26,27);4,7,14-16,21H,1,5-6,8-13,17H2,2-3H3,(H,25,26).
What are the key properties of [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?
[1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone has a molecular weight of 3461.48 g/mol, XLogP of 28.85, 46 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(1-cyclopropylpiperidin-4-yl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1-cyclopropylpiperidin-4-yl)oxy-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[4-[[3-(1,1-dioxothian-4-yl)oxy-5-methylphenyl]methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;2-[3-methyl-5-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;2-[5-methyl-2-[[4-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]piperazin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone;[1-[(3-methyl-5-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[(4-methyl-2-pyrimidin-5-yloxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is sourced from PubChem (CID 158562032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).