N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C13H16F3N7O — CID 154795043

IUPACN-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(NC(=O)c1nc(C(F)(F)F)n2c1CCCC2)c1nnnn1C
InChIInChI=1S/C13H16F3N7O/c1-7(10-19-20-21-22(10)2)17-11(24)9-8-5-3-4-6-23(8)12(18-9)13(14,15)16/h7H,3-6H2,1-2H3,(H,17,24)
InChIKeyCNDVCCOHWODUIV-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.25
Rot. Bonds3

About N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 154795043) has the molecular formula C13H16F3N7O and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID154795043
Molecular FormulaC13H16F3N7O
Molecular Weight343.31 g/mol
Exact Mass343.14
IUPAC NameN-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(NC(=O)c1nc(C(F)(F)F)n2c1CCCC2)c1nnnn1C
InChIInChI=1S/C13H16F3N7O/c1-7(10-19-20-21-22(10)2)17-11(24)9-8-5-3-4-6-23(8)12(18-9)13(14,15)16/h7H,3-6H2,1-2H3,(H,17,24)
InChIKeyCNDVCCOHWODUIV-UHFFFAOYSA-N
XLogP1.25
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786877
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 138030966
5-Methyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]-2,5,7-triazaspiro[3.4]octan-8-one
CID 154847724
N-(2-propan-2-ylcyclopentyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154852741
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154852745
6-(pyrrolidine-1-carbonyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155871437
6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155871540
N-(2-methyltetrazol-5-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 167802836
N-(3,3-dimethylbutan-2-yl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 72109870
2-methyl-N-[1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)piperidin-4-yl]propanamide
CID 72109963
N-[4-(diethylamino)-4-oxobutyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 72109820
N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786878

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 154795043) is N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CC(NC(=O)c1nc(C(F)(F)F)n2c1CCCC2)c1nnnn1C.
What is the InChIKey of N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is CNDVCCOHWODUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7O/c1-7(10-19-20-21-22(10)2)17-11(24)9-8-5-3-4-6-23(8)12(18-9)13(14,15)16/h7H,3-6H2,1-2H3,(H,17,24).
What are the key properties of N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyltetrazol-5-yl)ethyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 154795043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).