2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide

C24H31N11O — CID 167444193

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide
SMILESCc1ncc(NC(=O)CN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3cnn(C)c3)ncc12
InChIInChI=1S/C24H31N11O/c1-15-19(9-16(10-25-15)28-20(36)14-35-8-6-7-24(35,2)3)30-21-18-12-26-23(31-22(18)34(5)32-21)29-17-11-27-33(4)13-17/h9-13H,6-8,14H2,1-5H3,(H,28,36)(H,30,32)(H,26,29,31)
InChIKeyRJEIJQWGUZKFFJ-UHFFFAOYSA-N
MW489.59 g/mol
LogP3.10
Rot. Bonds7

About 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide

2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide (PubChem CID 167444193) has the molecular formula C24H31N11O and a molecular weight of 489.59 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide
PubChem CID167444193
Molecular FormulaC24H31N11O
Molecular Weight489.59 g/mol
Exact Mass489.27
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide
SMILESCc1ncc(NC(=O)CN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3cnn(C)c3)ncc12
InChIInChI=1S/C24H31N11O/c1-15-19(9-16(10-25-15)28-20(36)14-35-8-6-7-24(35,2)3)30-21-18-12-26-23(31-22(18)34(5)32-21)29-17-11-27-33(4)13-17/h9-13H,6-8,14H2,1-5H3,(H,28,36)(H,30,32)(H,26,29,31)
InChIKeyRJEIJQWGUZKFFJ-UHFFFAOYSA-N
XLogP3.10
TPSA130.71 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.59
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide with MolForge

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Related Compounds

5-[[6-[(1,3-dimethylpyrazol-4-yl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 167444167
5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 167444363
6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(4-oxa-7-azaspiro[2.5]octan-7-yl)ethyl]pyridine-3-carboxamide
CID 167444171
methyl 1-[3-[[3-[[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]amino]-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]cyclopropane-1-carboxylate
CID 167444298
N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
CID 167444268
N-[2-[cyclobutyl(3-methoxypropyl)amino]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
CID 167444088
2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548387
6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide
CID 167444117
ethyl 6-methyl-5-[[1-methyl-6-(pyridin-4-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxylate
CID 167444156
methyl 5-[[6-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methylpyridine-3-carboxylate
CID 167444324
6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]pyridine-3-carboxamide
CID 167444177
2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
CID 167444204

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide (CID 167444193) is 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide is Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3cnn(C)c3)ncc12.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide?
The InChIKey is RJEIJQWGUZKFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N11O/c1-15-19(9-16(10-25-15)28-20(36)14-35-8-6-7-24(35,2)3)30-21-18-12-26-23(31-22(18)34(5)32-21)29-17-11-27-33(4)13-17/h9-13H,6-8,14H2,1-5H3,(H,28,36)(H,30,32)(H,26,29,31).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide?
2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide has a molecular weight of 489.59 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 167444193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).