1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone

C114H139F3N42O8 — CID 158141082

IUPAC1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
SMILESCN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)C5CC6CCC5O6)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)COC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6Cc5ccc(C#N)cc5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6Cc5cccc(C#N)c5)cccn4n3)cn2)CC1
InChIInChI=1S/2C30H35N11O.C29H38N10O3.C25H31F3N10O3/c1-36-10-12-37(13-11-36)28(42)21-39-18-24(16-32-39)33-30-34-29-27(6-3-9-41(29)35-30)38-19-25-7-8-26(20-38)40(25)17-23-5-2-4-22(14-23)15-31;1-36-11-13-37(14-12-36)28(42)21-39-18-24(16-32-39)33-30-34-29-27(3-2-10-41(29)35-30)38-19-25-8-9-26(20-38)40(25)17-23-6-4-22(15-31)5-7-23;1-34-9-11-35(12-10-34)26(40)18-37-15-19(14-30-37)31-29-32-27-24(3-2-8-38(27)33-29)36-16-20-4-5-21(17-36)39(20)28(41)23-13-22-6-7-25(23)42-22;1-33-7-9-34(10-8-33)21(39)15-36-12-17(11-29-36)30-24-31-23-20(3-2-6-37(23)32-24)35-13-18-4-5-19(14-35)38(18)22(40)16-41-25(26,27)28/h2-6,9,14,16,18,25-26H,7-8,10-13,17,19-21H2,1H3,(H,33,35);2-7,10,16,18,25-26H,8-9,11-14,17,19-21H2,1H3,(H,33,35);2-3,8,14-15,20-23,25H,4-7,9-13,16-18H2,1H3,(H,31,33);2-3,6,11-12,18-19H,4-5,7-10,13-16H2,1H3,(H,30,32)
InChIKeyFTYGLRILELUFET-UHFFFAOYSA-N
MW2282.65 g/mol
LogP6.69
Rot. Bonds27

About 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone (PubChem CID 158141082) has the molecular formula C114H139F3N42O8 and a molecular weight of 2282.65 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
PubChem CID158141082
Molecular FormulaC114H139F3N42O8
Molecular Weight2282.65 g/mol
Exact Mass2281.17
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
SMILESCN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)C5CC6CCC5O6)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)COC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6Cc5ccc(C#N)cc5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6Cc5cccc(C#N)c5)cccn4n3)cn2)CC1
InChIInChI=1S/2C30H35N11O.C29H38N10O3.C25H31F3N10O3/c1-36-10-12-37(13-11-36)28(42)21-39-18-24(16-32-39)33-30-34-29-27(6-3-9-41(29)35-30)38-19-25-7-8-26(20-38)40(25)17-23-5-2-4-22(14-23)15-31;1-36-11-13-37(14-12-36)28(42)21-39-18-24(16-32-39)33-30-34-29-27(3-2-10-41(29)35-30)38-19-25-8-9-26(20-38)40(25)17-23-6-4-22(15-31)5-7-23;1-34-9-11-35(12-10-34)26(40)18-37-15-19(14-30-37)31-29-32-27-24(3-2-8-38(27)33-29)36-16-20-4-5-21(17-36)39(20)28(41)23-13-22-6-7-25(23)42-22;1-33-7-9-34(10-8-33)21(39)15-36-12-17(11-29-36)30-24-31-23-20(3-2-6-37(23)32-24)35-13-18-4-5-19(14-35)38(18)22(40)16-41-25(26,27)28/h2-6,9,14,16,18,25-26H,7-8,10-13,17,19-21H2,1H3,(H,33,35);2-7,10,16,18,25-26H,8-9,11-14,17,19-21H2,1H3,(H,33,35);2-3,8,14-15,20-23,25H,4-7,9-13,16-18H2,1H3,(H,31,33);2-3,6,11-12,18-19H,4-5,7-10,13-16H2,1H3,(H,30,32)
InChIKeyFTYGLRILELUFET-UHFFFAOYSA-N
XLogP6.69
TPSA460.46 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.65
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone (CID 158141082) is 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone is CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)C5CC6CCC5O6)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6C(=O)COC(F)(F)F)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6Cc5ccc(C#N)cc5)cccn4n3)cn2)CC1.CN1CCN(C(=O)Cn2cc(Nc3nc4c(N5CC6CCC(C5)N6Cc5cccc(C#N)c5)cccn4n3)cn2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
The InChIKey is FTYGLRILELUFET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H35N11O.C29H38N10O3.C25H31F3N10O3/c1-36-10-12-37(13-11-36)28(42)21-39-18-24(16-32-39)33-30-34-29-27(6-3-9-41(29)35-30)38-19-25-7-8-26(20-38)40(25)17-23-5-2-4-22(14-23)15-31;1-36-11-13-37(14-12-36)28(42)21-39-18-24(16-32-39)33-30-34-29-27(3-2-10-41(29)35-30)38-19-25-8-9-26(20-38)40(25)17-23-6-4-22(15-31)5-7-23;1-34-9-11-35(12-10-34)26(40)18-37-15-19(14-30-37)31-29-32-27-24(3-2-8-38(27)33-29)36-16-20-4-5-21(17-36)39(20)28(41)23-13-22-6-7-25(23)42-22;1-33-7-9-34(10-8-33)21(39)15-36-12-17(11-29-36)30-24-31-23-20(3-2-6-37(23)32-24)35-13-18-4-5-19(14-35)38(18)22(40)16-41-25(26,27)28/h2-6,9,14,16,18,25-26H,7-8,10-13,17,19-21H2,1H3,(H,33,35);2-7,10,16,18,25-26H,8-9,11-14,17,19-21H2,1H3,(H,33,35);2-3,8,14-15,20-23,25H,4-7,9-13,16-18H2,1H3,(H,31,33);2-3,6,11-12,18-19H,4-5,7-10,13-16H2,1H3,(H,30,32).
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone has a molecular weight of 2282.65 g/mol, XLogP of 6.69, 27 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;3-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;4-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone is sourced from PubChem (CID 158141082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).