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

C21H26F6N4O6 — CID 171928250

IUPACN-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)CNC(=O)c1nc(N2CCOCC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2.2C2HF3O2/c1-17(2,3)12-18-15(22)14-13-6-4-5-7-21(13)16(19-14)20-8-10-23-11-9-20;2*3-2(4,5)1(6)7/h4-7H,8-12H2,1-3H3,(H,18,22);2*(H,6,7)
InChIKeyFJHWLRRAESHCMA-UHFFFAOYSA-N
MW544.45 g/mol
LogP3.21
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171928250) has the molecular formula C21H26F6N4O6 and a molecular weight of 544.45 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID171928250
Molecular FormulaC21H26F6N4O6
Molecular Weight544.45 g/mol
Exact Mass544.18
IUPAC NameN-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)CNC(=O)c1nc(N2CCOCC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2.2C2HF3O2/c1-17(2,3)12-18-15(22)14-13-6-4-5-7-21(13)16(19-14)20-8-10-23-11-9-20;2*3-2(4,5)1(6)7/h4-7H,8-12H2,1-3H3,(H,18,22);2*(H,6,7)
InChIKeyFJHWLRRAESHCMA-UHFFFAOYSA-N
XLogP3.21
TPSA133.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 70944067
3-cyclopropyl-N-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 54580175
3-morpholin-4-yl-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 70944087
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831030
3-piperidin-1-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 57436270
N-(3-methylbutyl)-3-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069396
3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171925666
4-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)pyrimido[5,4-b]indolizine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155856355
3-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110612966
N-[(4-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069381
N-(2-bicyclo[2.2.1]heptanyl)-1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171925079

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171928250) is N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is CC(C)(C)CNC(=O)c1nc(N2CCOCC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is FJHWLRRAESHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2C2HF3O2/c1-17(2,3)12-18-15(22)14-13-6-4-5-7-21(13)16(19-14)20-8-10-23-11-9-20;2*3-2(4,5)1(6)7/h4-7H,8-12H2,1-3H3,(H,18,22);2*(H,6,7).
What are the key properties of N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 544.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171928250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).