3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one

C19H15ClFN5O — CID 146299044

IUPAC3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2[nH]ncc12
InChIInChI=1S/C19H15ClFN5O/c1-2-15-17(24-16-5-6-22-18-13(16)9-23-26-18)8-12(19(27)25-15)11-7-10(20)3-4-14(11)21/h3-9H,2H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyIOSRZLOGHNPFOR-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.41
Rot. Bonds4

About 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one

3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one (PubChem CID 146299044) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
PubChem CID146299044
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Name3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2[nH]ncc12
InChIInChI=1S/C19H15ClFN5O/c1-2-15-17(24-16-5-6-22-18-13(16)9-23-26-18)8-12(19(27)25-15)11-7-10(20)3-4-14(11)21/h3-9H,2H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyIOSRZLOGHNPFOR-UHFFFAOYSA-N
XLogP4.41
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-fluorophenyl)-6-methylsulfanyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
CID 146299041
3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one
CID 146299078
5-[(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)amino]-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146299094
3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299086
3-(5-chloro-2-fluorophenyl)-5-[(2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299218
4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 146299053
methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
CID 146296322
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-5,7-dihydrocyclopenta[b]pyridin-6-one
CID 162007063
3-(5-chloro-2-fluorophenyl)-6-(dimethylamino)-5-[(3-methyl-4-pyridinyl)amino]-1H-pyridin-2-one;methyl formate
CID 153392191
4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 153392216
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 146299048
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one (CID 146299044) is 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one is CCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2[nH]ncc12.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one?
The InChIKey is IOSRZLOGHNPFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c1-2-15-17(24-16-5-6-22-18-13(16)9-23-26-18)8-12(19(27)25-15)11-7-10(20)3-4-14(11)21/h3-9H,2H2,1H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one?
3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one has a molecular weight of 383.81 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 146299044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).