N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide

C28H24FN5O2 — CID 155646575

IUPACN-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3cnc(C(=O)NC4C5C=CC(C5)[C@@H]4C(N)=O)n3c2)ccc1F
InChIInChI=1S/C28H24FN5O2/c1-15-11-17(7-9-22(15)29)24-21(3-2-10-31-24)19-6-8-20-13-32-27(34(20)14-19)28(36)33-25-18-5-4-16(12-18)23(25)26(30)35/h2-11,13-14,16,18,23,25H,12H2,1H3,(H2,30,35)(H,33,36)/t16?,18?,23-,25?/m0/s1
InChIKeyAPUXXXXCLDCCTK-ACDMHYTKSA-N
MW481.53 g/mol
LogP3.92
Rot. Bonds5

About N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide

N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 155646575) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID155646575
Molecular FormulaC28H24FN5O2
Molecular Weight481.53 g/mol
Exact Mass481.19
IUPAC NameN-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3cnc(C(=O)NC4C5C=CC(C5)[C@@H]4C(N)=O)n3c2)ccc1F
InChIInChI=1S/C28H24FN5O2/c1-15-11-17(7-9-22(15)29)24-21(3-2-10-31-24)19-6-8-20-13-32-27(34(20)14-19)28(36)33-25-18-5-4-16(12-18)23(25)26(30)35/h2-11,13-14,16,18,23,25H,12H2,1H3,(H2,30,35)(H,33,36)/t16?,18?,23-,25?/m0/s1
InChIKeyAPUXXXXCLDCCTK-ACDMHYTKSA-N
XLogP3.92
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 155646575) is N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3cnc(C(=O)NC4C5C=CC(C5)[C@@H]4C(N)=O)n3c2)ccc1F.
What is the InChIKey of N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is APUXXXXCLDCCTK-ACDMHYTKSA-N. The full InChI is InChI=1S/C28H24FN5O2/c1-15-11-17(7-9-22(15)29)24-21(3-2-10-31-24)19-6-8-20-13-32-27(34(20)14-19)28(36)33-25-18-5-4-16(12-18)23(25)26(30)35/h2-11,13-14,16,18,23,25H,12H2,1H3,(H2,30,35)(H,33,36)/t16?,18?,23-,25?/m0/s1.
What are the key properties of N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155646575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).