N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide

C20H22F2N4O — CID 163519753

IUPACN-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide
SMILES[H]/N=C/C=C(\C=C/C)c1nc(C(=O)NC2CCC(F)(F)CC2)n2ccccc12
InChIInChI=1S/C20H22F2N4O/c1-2-5-14(9-12-23)17-16-6-3-4-13-26(16)18(25-17)19(27)24-15-7-10-20(21,22)11-8-15/h2-6,9,12-13,15,23H,7-8,10-11H2,1H3,(H,24,27)/b5-2-,14-9+,23-12+
InChIKeyDJUHYFRTHCHTGG-NALWHJFBSA-N
MW372.42 g/mol
LogP4.25
Rot. Bonds5

About N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide

N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 163519753) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID163519753
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC NameN-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide
SMILES[H]/N=C/C=C(\C=C/C)c1nc(C(=O)NC2CCC(F)(F)CC2)n2ccccc12
InChIInChI=1S/C20H22F2N4O/c1-2-5-14(9-12-23)17-16-6-3-4-13-26(16)18(25-17)19(27)24-15-7-10-20(21,22)11-8-15/h2-6,9,12-13,15,23H,7-8,10-11H2,1H3,(H,24,27)/b5-2-,14-9+,23-12+
InChIKeyDJUHYFRTHCHTGG-NALWHJFBSA-N
XLogP4.25
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 70943935
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171926382
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
3-N-cyclohexyl-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067383
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055
N-cyclopropyl-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109066655
3-N-cyclohexyl-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068652
1-(azepane-1-carbonyl)-N-cycloheptylimidazo[1,5-a]pyridine-3-carboxamide
CID 109071234
1-N-benzyl-3-N-cyclopentyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068277
3-N-cyclohexyl-1-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068639
3-N-cyclopropyl-1-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066749

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide (CID 163519753) is N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide is [H]/N=C/C=C(\C=C/C)c1nc(C(=O)NC2CCC(F)(F)CC2)n2ccccc12.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DJUHYFRTHCHTGG-NALWHJFBSA-N. The full InChI is InChI=1S/C20H22F2N4O/c1-2-5-14(9-12-23)17-16-6-3-4-13-26(16)18(25-17)19(27)24-15-7-10-20(21,22)11-8-15/h2-6,9,12-13,15,23H,7-8,10-11H2,1H3,(H,24,27)/b5-2-,14-9+,23-12+.
What are the key properties of N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide?
N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 163519753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).