[1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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

C142H173N31O12S3 — CID 158024131

IUPAC[1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1
InChIInChI=1S/2C30H34N6O2S.C28H39N5O4S.2C27H33N7O2/c1-21(2)31-27-11-16-36(33-27)29(37)34-17-13-30(14-18-34)12-6-15-35(30)20-23-10-9-22(3)19-25(23)38-28-32-24-7-4-5-8-26(24)39-28;1-21(2)31-27-9-14-36(33-27)29(37)34-15-11-30(12-16-34)10-6-13-35(30)20-23-17-22(3)18-24(19-23)38-28-32-25-7-4-5-8-26(25)39-28;1-21(2)29-26-7-14-33(30-26)27(34)31-15-11-28(12-16-31)10-4-13-32(28)20-23-6-5-22(3)19-25(23)37-24-8-17-38(35,36)18-9-24;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/h4-5,7-11,16,19H,1,6,12-15,17-18,20H2,2-3H3,(H,31,33);4-5,7-9,14,17-19H,1,6,10-13,15-16,20H2,2-3H3,(H,31,33);5-7,14,19,24H,1,4,8-13,15-18,20H2,2-3H3,(H,29,30);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)
InChIKeyFGKHGLIFSDMZBH-UHFFFAOYSA-N
MW2602.35 g/mol
LogP27.10
Rot. Bonds30

About [1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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 158024131) has the molecular formula C142H173N31O12S3 and a molecular weight of 2602.35 g/mol. Its IUPAC name is [1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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 CID158024131
Molecular FormulaC142H173N31O12S3
Molecular Weight2602.35 g/mol
Exact Mass2600.30
IUPAC Name[1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1
InChIInChI=1S/2C30H34N6O2S.C28H39N5O4S.2C27H33N7O2/c1-21(2)31-27-11-16-36(33-27)29(37)34-17-13-30(14-18-34)12-6-15-35(30)20-23-10-9-22(3)19-25(23)38-28-32-24-7-4-5-8-26(24)39-28;1-21(2)31-27-9-14-36(33-27)29(37)34-15-11-30(12-16-34)10-6-13-35(30)20-23-17-22(3)18-24(19-23)38-28-32-25-7-4-5-8-26(25)39-28;1-21(2)29-26-7-14-33(30-26)27(34)31-15-11-28(12-16-31)10-4-13-32(28)20-23-6-5-22(3)19-25(23)37-24-8-17-38(35,36)18-9-24;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/h4-5,7-11,16,19H,1,6,12-15,17-18,20H2,2-3H3,(H,31,33);4-5,7-9,14,17-19H,1,6,10-13,15-16,20H2,2-3H3,(H,31,33);5-7,14,19,24H,1,4,8-13,15-18,20H2,2-3H3,(H,29,30);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)
InChIKeyFGKHGLIFSDMZBH-UHFFFAOYSA-N
XLogP27.10
TPSA424.63 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002602.35
LogP ≤ 527.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze [1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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 158024131) is [1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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(Oc4cncnc4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(Oc4nc5ccccc5s4)c3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3OC3CCS(=O)(=O)CC3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3cncnc3)CC2)n1.C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3Oc3nc4ccccc4s3)CC2)n1.
What is the InChIKey of [1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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 FGKHGLIFSDMZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H34N6O2S.C28H39N5O4S.2C27H33N7O2/c1-21(2)31-27-11-16-36(33-27)29(37)34-17-13-30(14-18-34)12-6-15-35(30)20-23-10-9-22(3)19-25(23)38-28-32-24-7-4-5-8-26(24)39-28;1-21(2)31-27-9-14-36(33-27)29(37)34-15-11-30(12-16-34)10-6-13-35(30)20-23-17-22(3)18-24(19-23)38-28-32-25-7-4-5-8-26(25)39-28;1-21(2)29-26-7-14-33(30-26)27(34)31-15-11-28(12-16-31)10-4-13-32(28)20-23-6-5-22(3)19-25(23)37-24-8-17-38(35,36)18-9-24;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/h4-5,7-11,16,19H,1,6,12-15,17-18,20H2,2-3H3,(H,31,33);4-5,7-9,14,17-19H,1,6,10-13,15-16,20H2,2-3H3,(H,31,33);5-7,14,19,24H,1,4,8-13,15-18,20H2,2-3H3,(H,29,30);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).
What are the key properties of [1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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 2602.35 g/mol, XLogP of 27.10, 30 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(1,3-benzothiazol-2-yloxy)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[3-(1,3-benzothiazol-2-yloxy)-5-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone;[1-[[2-(1,1-dioxothian-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-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 158024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).