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

C17H15ClFN5O — CID 167848328

IUPAC1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
SMILESCn1ncc2c(NC3CCN(c4ccc(Cl)c(F)c4)C3=O)ccnc21
InChIInChI=1S/C17H15ClFN5O/c1-23-16-11(9-21-23)14(4-6-20-16)22-15-5-7-24(17(15)25)10-2-3-12(18)13(19)8-10/h2-4,6,8-9,15H,5,7H2,1H3,(H,20,22)
InChIKeyDRCRIQJOPTVWOL-UHFFFAOYSA-N
MW359.79 g/mol
LogP2.98
Rot. Bonds3

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

1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one (PubChem CID 167848328) has the molecular formula C17H15ClFN5O and a molecular weight of 359.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
PubChem CID167848328
Molecular FormulaC17H15ClFN5O
Molecular Weight359.79 g/mol
Exact Mass359.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
SMILESCn1ncc2c(NC3CCN(c4ccc(Cl)c(F)c4)C3=O)ccnc21
InChIInChI=1S/C17H15ClFN5O/c1-23-16-11(9-21-23)14(4-6-20-16)22-15-5-7-24(17(15)25)10-2-3-12(18)13(19)8-10/h2-4,6,8-9,15H,5,7H2,1H3,(H,20,22)
InChIKeyDRCRIQJOPTVWOL-UHFFFAOYSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
CID 126800928
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212
1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
CID 75441668
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 97329654
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75395006
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]pyridazin-3-one
CID 133353923
6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 133439006
3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 126808811

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one (CID 167848328) is 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one is Cn1ncc2c(NC3CCN(c4ccc(Cl)c(F)c4)C3=O)ccnc21.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is DRCRIQJOPTVWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O/c1-23-16-11(9-21-23)14(4-6-20-16)22-15-5-7-24(17(15)25)10-2-3-12(18)13(19)8-10/h2-4,6,8-9,15H,5,7H2,1H3,(H,20,22).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one?
1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 359.79 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 167848328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).