6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one

C20H21FN4O2 — CID 91668213

IUPAC6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
SMILESCCn1ncc2c(F)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(=O)[nH]3)cc21
InChIInChI=1S/C20H21FN4O2/c1-3-25-17-10-12(9-15(21)13(17)11-23-25)16-6-5-14(18(26)24-16)20(2)7-4-8-22-19(20)27/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,27)(H,24,26)/t20-/m1/s1
InChIKeyBUSKMSQAPVYQAP-HXUWFJFHSA-N
MW368.41 g/mol
LogP2.72
Rot. Bonds3

About 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one

6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one (PubChem CID 91668213) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
PubChem CID91668213
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
SMILESCCn1ncc2c(F)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(=O)[nH]3)cc21
InChIInChI=1S/C20H21FN4O2/c1-3-25-17-10-12(9-15(21)13(17)11-23-25)16-6-5-14(18(26)24-16)20(2)7-4-8-22-19(20)27/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,27)(H,24,26)/t20-/m1/s1
InChIKeyBUSKMSQAPVYQAP-HXUWFJFHSA-N
XLogP2.72
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-pyrazinyl)propanamide
CID 24792097
6-(1-ethyl-4-methylindazol-6-yl)-3-[(3R)-3-methyl-2-oxopyrrolidin-3-yl]-1H-pyridin-2-one
CID 117993349
6-(4-chloro-1-methylindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
CID 117993400
5-[1-[(3,4-Difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155534784
N-cyclohexyl-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide
CID 20885377
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(2-oxo-1-piperidinyl)butanamide
CID 24817008
4-Fluoro-N-(1-(1-methylpiperidin-4-yl)-1H-indazol-6-yl)benzamide
CID 44395787
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 71455835
3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide
CID 71602772
N-[5-(benzylcarbamoyl)-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 134135473
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
CID 155547840
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(piperidin-4-ylamino)-1-propan-2-ylindazole-4-carboxamide
CID 155547915

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one (CID 91668213) is 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one is CCn1ncc2c(F)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(=O)[nH]3)cc21.
What is the InChIKey of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one?
The InChIKey is BUSKMSQAPVYQAP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-3-25-17-10-12(9-15(21)13(17)11-23-25)16-6-5-14(18(26)24-16)20(2)7-4-8-22-19(20)27/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,27)(H,24,26)/t20-/m1/s1.
What are the key properties of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one?
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one has a molecular weight of 368.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 91668213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).