N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

C19H21ClN6O3 — CID 126666818

IUPACN-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1[nH]nc2ncnc(N[C@@H]3CC[C@@H](O)[C@H]3O)c12
InChIInChI=1S/C19H21ClN6O3/c1-26(8-10-3-2-4-11(20)7-10)19(29)15-14-17(21-9-22-18(14)25-24-15)23-12-5-6-13(27)16(12)28/h2-4,7,9,12-13,16,27-28H,5-6,8H2,1H3,(H2,21,22,23,24,25)/t12-,13-,16+/m1/s1
InChIKeyGKHCOKCDZPQSLU-IOASZLSFSA-N
MW416.87 g/mol
LogP1.57
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 126666818) has the molecular formula C19H21ClN6O3 and a molecular weight of 416.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID126666818
Molecular FormulaC19H21ClN6O3
Molecular Weight416.87 g/mol
Exact Mass416.14
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1[nH]nc2ncnc(N[C@@H]3CC[C@@H](O)[C@H]3O)c12
InChIInChI=1S/C19H21ClN6O3/c1-26(8-10-3-2-4-11(20)7-10)19(29)15-14-17(21-9-22-18(14)25-24-15)23-12-5-6-13(27)16(12)28/h2-4,7,9,12-13,16,27-28H,5-6,8H2,1H3,(H2,21,22,23,24,25)/t12-,13-,16+/m1/s1
InChIKeyGKHCOKCDZPQSLU-IOASZLSFSA-N
XLogP1.57
TPSA127.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-cyanophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 126623674
N-[(3-cyano-5-fluorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 126667289
N-[(2-chloro-5-fluorophenyl)methyl]-4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 126666820
N-[(2,5-difluorophenyl)methyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 126666923
[(2R,4S)-2-(5-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]methanone
CID 126667066
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
N-[(2-chloro-5-fluoro-3-pyridinyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-7H-pyrrolo[3,4-d]pyrimidine-5-carboxamide
CID 160712370
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
5-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62179255
N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62236819
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 126666818) is N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)c1[nH]nc2ncnc(N[C@@H]3CC[C@@H](O)[C@H]3O)c12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is GKHCOKCDZPQSLU-IOASZLSFSA-N. The full InChI is InChI=1S/C19H21ClN6O3/c1-26(8-10-3-2-4-11(20)7-10)19(29)15-14-17(21-9-22-18(14)25-24-15)23-12-5-6-13(27)16(12)28/h2-4,7,9,12-13,16,27-28H,5-6,8H2,1H3,(H2,21,22,23,24,25)/t12-,13-,16+/m1/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 126666818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).