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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C90H118N24O12 — CID 159627367

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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(CN)CO.CN(C(=O)OC(C)(C)C)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C33H40N8O3.C26H34N8O3.C26H31N7O5.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;1-26(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;1-26(2,3)38-25(36)30(4)21-14-20(29-23-18(24(34)35)15-28-33(21)23)19-16-32(22-17(19)6-5-7-27-22)9-8-31-10-12-37-13-11-31;1-5(2,3-6)4-7/h4-11,18-19,21,42H,12-17,20,22-23H2,1-3H3,(H,35,43);4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36);5-7,14-16H,8-13H2,1-4H3,(H,34,35);7H,3-4,6H2,1-2H3
InChIKeyMORCWTIBPXPUBO-UHFFFAOYSA-N
MW1728.09 g/mol
LogP8.44
Rot. Bonds28

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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 159627367) has the molecular formula C90H118N24O12 and a molecular weight of 1728.09 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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID159627367
Molecular FormulaC90H118N24O12
Molecular Weight1728.09 g/mol
Exact Mass1726.94
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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(CN)CO.CN(C(=O)OC(C)(C)C)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C33H40N8O3.C26H34N8O3.C26H31N7O5.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;1-26(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;1-26(2,3)38-25(36)30(4)21-14-20(29-23-18(24(34)35)15-28-33(21)23)19-16-32(22-17(19)6-5-7-27-22)9-8-31-10-12-37-13-11-31;1-5(2,3-6)4-7/h4-11,18-19,21,42H,12-17,20,22-23H2,1-3H3,(H,35,43);4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36);5-7,14-16H,8-13H2,1-4H3,(H,34,35);7H,3-4,6H2,1-2H3
InChIKeyMORCWTIBPXPUBO-UHFFFAOYSA-N
XLogP8.44
TPSA408.46 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.09
LogP ≤ 58.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid 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
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-[(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
8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 157210328
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-(2-methylpropyl)piperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;hydrochloride
CID 157440497
Tert-butyl 2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetate;2-[2-[2-[2-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid;2,2,2-trifluoroacetaldehyde
CID 158372172
7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158589366
(3S,4S)-4-aminooxolan-3-ol;7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate)
CID 158830371
(6R)-15-ethyl-9-fluoro-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;5-[2-[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2R)-2-[2-[2-[ethyl-[(2,2,2-trifluoroacetyl)amino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde
CID 160569078
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
CID 160650382
(6R)-9-fluoro-15-methyl-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;5-[2-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2R)-2-[5-fluoro-2-[2-[methyl-[(2,2,2-trifluoroacetyl)amino]amino]ethyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde
CID 160677525

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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 159627367) 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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(CN)CO.CN(C(=O)OC(C)(C)C)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MORCWTIBPXPUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N8O3.C26H34N8O3.C26H31N7O5.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;1-26(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;1-26(2,3)38-25(36)30(4)21-14-20(29-23-18(24(34)35)15-28-33(21)23)19-16-32(22-17(19)6-5-7-27-22)9-8-31-10-12-37-13-11-31;1-5(2,3-6)4-7/h4-11,18-19,21,42H,12-17,20,22-23H2,1-3H3,(H,35,43);4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36);5-7,14-16H,8-13H2,1-4H3,(H,34,35);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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 1728.09 g/mol, XLogP of 8.44, 28 rotatable bonds, 8 hydrogen bond donors, and 32 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;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;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 159627367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).