3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C92H116N24O10 — CID 157337279

IUPAC3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(CN)CO.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C33H40N8O3.C28H29N7O3.C26H34N8O3.C5H13NO/c1-33(2,23-42)22-35-32(43)26-19-36-41-29(38(3)20-24-8-5-4-6-9-24)18-28(37-31(26)41)27-21-40(30-25(27)10-7-11-34-30)13-12-39-14-16-44-17-15-39;1-32(18-20-6-3-2-4-7-20)25-16-24(31-27-22(28(36)37)17-30-35(25)27)23-19-34(26-21(23)8-5-9-29-26)11-10-33-12-14-38-15-13-33;1-26(2,17-35)16-29-25(36)19-14-30-34-22(27-3)13-21(31-24(19)34)20-15-33(23-18(20)5-4-6-28-23)8-7-32-9-11-37-12-10-32;1-5(2,3-6)4-7/h4-11,18-19,21,42H,12-17,20,22-23H2,1-3H3,(H,35,43);2-9,16-17,19H,10-15,18H2,1H3,(H,36,37);4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36);7H,3-4,6H2,1-2H3
InChIKeyBFZCHLOJILXUPH-UHFFFAOYSA-N
MW1718.10 g/mol
LogP8.71
Rot. Bonds30

About 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157337279) has the molecular formula C92H116N24O10 and a molecular weight of 1718.10 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157337279
Molecular FormulaC92H116N24O10
Molecular Weight1718.10 g/mol
Exact Mass1716.93
IUPAC Name3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(CN)CO.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C33H40N8O3.C28H29N7O3.C26H34N8O3.C5H13NO/c1-33(2,23-42)22-35-32(43)26-19-36-41-29(38(3)20-24-8-5-4-6-9-24)18-28(37-31(26)41)27-21-40(30-25(27)10-7-11-34-30)13-12-39-14-16-44-17-15-39;1-32(18-20-6-3-2-4-7-20)25-16-24(31-27-22(28(36)37)17-30-35(25)27)23-19-34(26-21(23)8-5-9-29-26)11-10-33-12-14-38-15-13-33;1-26(2,17-35)16-29-25(36)19-14-30-34-22(27-3)13-21(31-24(19)34)20-15-33(23-18(20)5-4-6-28-23)8-7-32-9-11-37-12-10-32;1-5(2,3-6)4-7/h4-11,18-19,21,42H,12-17,20,22-23H2,1-3H3,(H,35,43);2-9,16-17,19H,10-15,18H2,1H3,(H,36,37);4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36);7H,3-4,6H2,1-2H3
InChIKeyBFZCHLOJILXUPH-UHFFFAOYSA-N
XLogP8.71
TPSA382.16 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001718.10
LogP ≤ 58.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441404
7-(Methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441469
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441514
N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441541
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449950
N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450001
N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450037
N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139390475
N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441570
2-(2-fluorophenyl)-N-[1-[4-[2-(2-fluorophenyl)-8-(pyridin-3-ylcarbamoyl)imidazo[1,2-b]pyridazin-6-yl]morpholin-2-yl]pyridin-1-ium-4-yl]-6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazine-8-carboxamide
CID 123850657
ethyl 5-[2-[6-(difluoromethyl)pyridin-2-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-(5-fluoro-6-methylpyridin-2-yl)pyridin-3-yl]-N-(oxetan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134533162
5-[1-[(3S,4S)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146560305

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157337279) is 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(CN)CO.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.
What is the InChIKey of 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BFZCHLOJILXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N8O3.C28H29N7O3.C26H34N8O3.C5H13NO/c1-33(2,23-42)22-35-32(43)26-19-36-41-29(38(3)20-24-8-5-4-6-9-24)18-28(37-31(26)41)27-21-40(30-25(27)10-7-11-34-30)13-12-39-14-16-44-17-15-39;1-32(18-20-6-3-2-4-7-20)25-16-24(31-27-22(28(36)37)17-30-35(25)27)23-19-34(26-21(23)8-5-9-29-26)11-10-33-12-14-38-15-13-33;1-26(2,17-35)16-29-25(36)19-14-30-34-22(27-3)13-21(31-24(19)34)20-15-33(23-18(20)5-4-6-28-23)8-7-32-9-11-37-12-10-32;1-5(2,3-6)4-7/h4-11,18-19,21,42H,12-17,20,22-23H2,1-3H3,(H,35,43);2-9,16-17,19H,10-15,18H2,1H3,(H,36,37);4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36);7H,3-4,6H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1718.10 g/mol, XLogP of 8.71, 30 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157337279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).