N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H23F3N4O — CID 95766027

IUPACN-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C2
InChIInChI=1S/C16H23F3N4O/c1-11-8-23-9-13(2-3-14(23)20-11)21-15(24)12-4-6-22(7-5-12)10-16(17,18)19/h8,12-13H,2-7,9-10H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyASPJQTNZECZAGM-ZDUSSCGKSA-N
MW344.38 g/mol
LogP1.90
Rot. Bonds3

About N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 95766027) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID95766027
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C2
InChIInChI=1S/C16H23F3N4O/c1-11-8-23-9-13(2-3-14(23)20-11)21-15(24)12-4-6-22(7-5-12)10-16(17,18)19/h8,12-13H,2-7,9-10H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyASPJQTNZECZAGM-ZDUSSCGKSA-N
XLogP1.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 72124250
3-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72134391
4-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-1,4-dicarboxamide
CID 72150052
1-acetyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
CID 72150073
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97361095
2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382111
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97407000
1-(3,7-Dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440495
N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440498
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440546
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one
CID 97440547

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 95766027) is N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cc1cn2c(n1)CC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C2.
What is the InChIKey of N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is ASPJQTNZECZAGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-11-8-23-9-13(2-3-14(23)20-11)21-15(24)12-4-6-22(7-5-12)10-16(17,18)19/h8,12-13H,2-7,9-10H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 95766027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).