N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H20F8N4O5 — CID 171926382

IUPACN-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NC1CCC(F)(F)CC1)c1nc(-c2ccncc2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18F2N4O.2C2HF3O2/c20-19(21)8-4-14(5-9-19)23-18(26)17-24-16(13-6-10-22-11-7-13)15-3-1-2-12-25(15)17;2*3-2(4,5)1(6)7/h1-3,6-7,10-12,14H,4-5,8-9H2,(H,23,26);2*(H,6,7)
InChIKeyMAGIGHXWYHHJHP-UHFFFAOYSA-N
MW584.42 g/mol
LogP4.97
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171926382) has the molecular formula C23H20F8N4O5 and a molecular weight of 584.42 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID171926382
Molecular FormulaC23H20F8N4O5
Molecular Weight584.42 g/mol
Exact Mass584.13
IUPAC NameN-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NC1CCC(F)(F)CC1)c1nc(-c2ccncc2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18F2N4O.2C2HF3O2/c20-19(21)8-4-14(5-9-19)23-18(26)17-24-16(13-6-10-22-11-7-13)15-3-1-2-12-25(15)17;2*3-2(4,5)1(6)7/h1-3,6-7,10-12,14H,4-5,8-9H2,(H,23,26);2*(H,6,7)
InChIKeyMAGIGHXWYHHJHP-UHFFFAOYSA-N
XLogP4.97
TPSA133.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.42
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-adamantyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171928969
1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 70943935
N-(1-adamantyl)-1-pyridin-3-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87650722
N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 163519753
1-(3-chlorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171931935
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134793823
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
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

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171926382) is N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NC1CCC(F)(F)CC1)c1nc(-c2ccncc2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MAGIGHXWYHHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O.2C2HF3O2/c20-19(21)8-4-14(5-9-19)23-18(26)17-24-16(13-6-10-22-11-7-13)15-3-1-2-12-25(15)17;2*3-2(4,5)1(6)7/h1-3,6-7,10-12,14H,4-5,8-9H2,(H,23,26);2*(H,6,7).
What are the key properties of N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 584.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171926382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).