bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C151H183N45O10 — CID 157290203

IUPACbis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@@H]5O)c4n3)c3cccnc32)CC1.CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@H]5CC[C@H]5O)c4n3)c3cccnc32)CC1.CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@H]5CC[C@H]5O)c4n3)c3cccnc32)CC1.CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/3C33H39N9O2.2C26H33N9O2/c3*1-38-13-15-40(16-14-38)17-18-41-22-26(24-9-6-12-34-31(24)41)28-19-30(39(2)21-23-7-4-3-5-8-23)42-32(36-28)25(20-35-42)33(44)37-27-10-11-29(27)43;2*1-27-23-14-21(30-25-18(15-29-35(23)25)26(37)31-20-5-6-22(20)36)19-16-34(24-17(19)4-3-7-28-24)13-12-33-10-8-32(2)9-11-33/h3*3-9,12,19-20,22,27,29,43H,10-11,13-18,21H2,1-2H3,(H,37,44);2*3-4,7,14-16,20,22,27,36H,5-6,8-13H2,1-2H3,(H,31,37)/t3*27-,29+;2*20-,22+/m10010/s1
InChIKeyBASCMICVSJYWRO-JBGQOBQOSA-N
MW2788.43 g/mol
LogP11.23
Rot. Bonds41

About bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157290203) has the molecular formula C151H183N45O10 and a molecular weight of 2788.43 g/mol. Its IUPAC name is bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Namebis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157290203
Molecular FormulaC151H183N45O10
Molecular Weight2788.43 g/mol
Exact Mass2786.52
IUPAC Namebis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@@H]5O)c4n3)c3cccnc32)CC1.CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@H]5CC[C@H]5O)c4n3)c3cccnc32)CC1.CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@H]5CC[C@H]5O)c4n3)c3cccnc32)CC1.CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/3C33H39N9O2.2C26H33N9O2/c3*1-38-13-15-40(16-14-38)17-18-41-22-26(24-9-6-12-34-31(24)41)28-19-30(39(2)21-23-7-4-3-5-8-23)42-32(36-28)25(20-35-42)33(44)37-27-10-11-29(27)43;2*1-27-23-14-21(30-25-18(15-29-35(23)25)26(37)31-20-5-6-22(20)36)19-16-34(24-17(19)4-3-7-28-24)13-12-33-10-8-32(2)9-11-33/h3*3-9,12,19-20,22,27,29,43H,10-11,13-18,21H2,1-2H3,(H,37,44);2*3-4,7,14-16,20,22,27,36H,5-6,8-13H2,1-2H3,(H,31,37)/t3*27-,29+;2*20-,22+/m10010/s1
InChIKeyBASCMICVSJYWRO-JBGQOBQOSA-N
XLogP11.23
TPSA552.88 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds41
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002788.43
LogP ≤ 511.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449761
5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450363
5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484556
5-[1-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559190
5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559199
5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559213
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559227
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559230
5-[1-[(3S,4S)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559934
N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559951
5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559965
N-[(1S)-2,2-difluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559989

Frequently Asked Questions

What is the IUPAC name of bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157290203) is bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@@H]5O)c4n3)c3cccnc32)CC1.CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@H]5CC[C@H]5O)c4n3)c3cccnc32)CC1.CN1CCN(CCn2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@H]5CC[C@H]5O)c4n3)c3cccnc32)CC1.CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(-c2cn(CCN3CCN(C)CC3)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.
What is the InChIKey of bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BASCMICVSJYWRO-JBGQOBQOSA-N. The full InChI is InChI=1S/3C33H39N9O2.2C26H33N9O2/c3*1-38-13-15-40(16-14-38)17-18-41-22-26(24-9-6-12-34-31(24)41)28-19-30(39(2)21-23-7-4-3-5-8-23)42-32(36-28)25(20-35-42)33(44)37-27-10-11-29(27)43;2*1-27-23-14-21(30-25-18(15-29-35(23)25)26(37)31-20-5-6-22(20)36)19-16-34(24-17(19)4-3-7-28-24)13-12-33-10-8-32(2)9-11-33/h3*3-9,12,19-20,22,27,29,43H,10-11,13-18,21H2,1-2H3,(H,37,44);2*3-4,7,14-16,20,22,27,36H,5-6,8-13H2,1-2H3,(H,31,37)/t3*27-,29+;2*20-,22+/m10010/s1.
What are the key properties of bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2788.43 g/mol, XLogP of 11.23, 41 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-[benzyl(methyl)amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);7-[benzyl(methyl)amino]-N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157290203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).