N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide

C20H18ClFN4O3 — CID 67060280

IUPACN-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide
SMILESCC12CCCCN1C(=O)N(c1ccc(NC(=O)c3ncccc3F)cc1Cl)C2=O
InChIInChI=1S/C20H18ClFN4O3/c1-20-8-2-3-10-25(20)19(29)26(18(20)28)15-7-6-12(11-13(15)21)24-17(27)16-14(22)5-4-9-23-16/h4-7,9,11H,2-3,8,10H2,1H3,(H,24,27)
InChIKeyUBFUSRIPEGWXMU-UHFFFAOYSA-N
MW416.84 g/mol
LogP3.84
Rot. Bonds3

About N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide

N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide (PubChem CID 67060280) has the molecular formula C20H18ClFN4O3 and a molecular weight of 416.84 g/mol. Its IUPAC name is N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide
PubChem CID67060280
Molecular FormulaC20H18ClFN4O3
Molecular Weight416.84 g/mol
Exact Mass416.11
IUPAC NameN-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide
SMILESCC12CCCCN1C(=O)N(c1ccc(NC(=O)c3ncccc3F)cc1Cl)C2=O
InChIInChI=1S/C20H18ClFN4O3/c1-20-8-2-3-10-25(20)19(29)26(18(20)28)15-7-6-12(11-13(15)21)24-17(27)16-14(22)5-4-9-23-16/h4-7,9,11H,2-3,8,10H2,1H3,(H,24,27)
InChIKeyUBFUSRIPEGWXMU-UHFFFAOYSA-N
XLogP3.84
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11280247
N-(3-Chloro-4-(4-fluoro-1,3-dioxoisoindolin-2-yl)phenyl)-2-picolinamide
CID 45110133
N-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-chlorophenyl]pyridine-2-carboxamide
CID 56649125
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437712
5-[3-[4-(3-Chloro-4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437776
3-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11188377
N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide
CID 46869949
N-[3-chloro-4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]pyridine-2-carboxamide
CID 75238115
3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 127046203
3-amino-N-[3-chloro-4-(4,4-dimethyl-2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 127046205
3-amino-N-[3-chloro-4-[4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]phenyl]pyridine-2-carboxamide
CID 127047343
N-(2-chloro-4-fluorophenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4158621

Frequently Asked Questions

What is the IUPAC name of N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide (CID 67060280) is N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide is CC12CCCCN1C(=O)N(c1ccc(NC(=O)c3ncccc3F)cc1Cl)C2=O.
What is the InChIKey of N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is UBFUSRIPEGWXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3/c1-20-8-2-3-10-25(20)19(29)26(18(20)28)15-7-6-12(11-13(15)21)24-17(27)16-14(22)5-4-9-23-16/h4-7,9,11H,2-3,8,10H2,1H3,(H,24,27).
What are the key properties of N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 416.84 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8a-methyl-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 67060280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).