1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one

C17H16ClN5O — CID 126800928

IUPAC1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
SMILESCn1ncc2c(NC3CCN(c4ccc(Cl)cc4)C3=O)ccnc21
InChIInChI=1S/C17H16ClN5O/c1-22-16-13(10-20-22)14(6-8-19-16)21-15-7-9-23(17(15)24)12-4-2-11(18)3-5-12/h2-6,8,10,15H,7,9H2,1H3,(H,19,21)
InChIKeyIHYSAJDZZDPWQN-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one

1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one (PubChem CID 126800928) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
PubChem CID126800928
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
SMILESCn1ncc2c(NC3CCN(c4ccc(Cl)cc4)C3=O)ccnc21
InChIInChI=1S/C17H16ClN5O/c1-22-16-13(10-20-22)14(6-8-19-16)21-15-7-9-23(17(15)24)12-4-2-11(18)3-5-12/h2-6,8,10,15H,7,9H2,1H3,(H,19,21)
InChIKeyIHYSAJDZZDPWQN-UHFFFAOYSA-N
XLogP2.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
CID 167848328
3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 126808811
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 124609460
1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 133340094
4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
CID 133354000
(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124721637
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]pyridazin-3-one
CID 133353923
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-5-cyclopropyl-1-propylpyrazole-4-carboxamide
CID 138996410
1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one
CID 71928609

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one (CID 126800928) is 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one is Cn1ncc2c(NC3CCN(c4ccc(Cl)cc4)C3=O)ccnc21.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is IHYSAJDZZDPWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-22-16-13(10-20-22)14(6-8-19-16)21-15-7-9-23(17(15)24)12-4-2-11(18)3-5-12/h2-6,8,10,15H,7,9H2,1H3,(H,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 341.80 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 126800928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).