3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H25N5O2 — CID 109066771

IUPAC3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2nc(C(=O)NC3CC3)n3ccccc23)cc1
InChIInChI=1S/C22H25N5O2/c1-3-26(4-2)17-12-10-16(11-13-17)23-21(28)19-18-7-5-6-14-27(18)20(25-19)22(29)24-15-8-9-15/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyGUFSTYTYNQCWOU-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.33
Rot. Bonds7

About 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066771) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066771
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2nc(C(=O)NC3CC3)n3ccccc23)cc1
InChIInChI=1S/C22H25N5O2/c1-3-26(4-2)17-12-10-16(11-13-17)23-21(28)19-18-7-5-6-14-27(18)20(25-19)22(29)24-15-8-9-15/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyGUFSTYTYNQCWOU-UHFFFAOYSA-N
XLogP3.33
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.33
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

3-N-(4-tert-butylphenyl)-1-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066574
1-N-(4-cyanophenyl)-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068351
1-N-(3-chloro-4-fluorophenyl)-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066744
methyl 3-[[3-(cyclopropylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066768
1-N-cyclohexyl-3-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068614
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
3-N-cyclopropyl-1-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066749
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
3-N-cyclohexyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068661
3-N-(1,1-dioxothiolan-3-yl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070870
1-N-cyclopropyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066555
3-N-cyclopentyl-1-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068336

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066771) is 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2nc(C(=O)NC3CC3)n3ccccc23)cc1.
What is the InChIKey of 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is GUFSTYTYNQCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-26(4-2)17-12-10-16(11-13-17)23-21(28)19-18-7-5-6-14-27(18)20(25-19)22(29)24-15-8-9-15/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-[4-(diethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).