3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide

C21H23N5O2 — CID 110606191

IUPAC3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)c2nc(C3CC3)n3ccccc23)cc1
InChIInChI=1S/C21H23N5O2/c1-25(2)16-10-8-15(9-11-16)23-18(27)13-22-21(28)19-17-5-3-4-12-26(17)20(24-19)14-6-7-14/h3-5,8-12,14H,6-7,13H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyGTVCUMWBMBNORJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.65
Rot. Bonds6

About 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide

3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110606191) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110606191
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)CNC(=O)c2nc(C3CC3)n3ccccc23)cc1
InChIInChI=1S/C21H23N5O2/c1-25(2)16-10-8-15(9-11-16)23-18(27)13-22-21(28)19-17-5-3-4-12-26(17)20(24-19)14-6-7-14/h3-5,8-12,14H,6-7,13H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyGTVCUMWBMBNORJ-UHFFFAOYSA-N
XLogP2.65
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate
CID 110625495
3-cyclopropyl-N-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
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3-cyclopropyl-N-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
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N-(3-acetamidopropyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
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CID 57453264
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1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071118
N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
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N-[4-(dimethylamino)phenyl]-3-(1-phenylimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxamide
CID 171544164
N-(2-benzamidoethyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630596
(3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171544249
N-[4-(dimethylamino)phenyl]-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 110606191) is 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide is CN(C)c1ccc(NC(=O)CNC(=O)c2nc(C3CC3)n3ccccc23)cc1.
What is the InChIKey of 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is GTVCUMWBMBNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25(2)16-10-8-15(9-11-16)23-18(27)13-22-21(28)19-17-5-3-4-12-26(17)20(24-19)14-6-7-14/h3-5,8-12,14H,6-7,13H2,1-2H3,(H,22,28)(H,23,27).
What are the key properties of 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110606191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).