(4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C15H17F3N6O — CID 95896886

IUPAC(4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2NCCc3[nH]cnc32)n1
InChIInChI=1S/C15H17F3N6O/c1-8-6-10(15(16,17)18)24-11(23-8)3-5-20-14(25)13-12-9(2-4-19-13)21-7-22-12/h6-7,13,19H,2-5H2,1H3,(H,20,25)(H,21,22)/t13-/m0/s1
InChIKeyFFOFJAHJUUJREP-ZDUSSCGKSA-N
MW354.34 g/mol
LogP1.07
Rot. Bonds4

About (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

(4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 95896886) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID95896886
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name(4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2NCCc3[nH]cnc32)n1
InChIInChI=1S/C15H17F3N6O/c1-8-6-10(15(16,17)18)24-11(23-8)3-5-20-14(25)13-12-9(2-4-19-13)21-7-22-12/h6-7,13,19H,2-5H2,1H3,(H,20,25)(H,21,22)/t13-/m0/s1
InChIKeyFFOFJAHJUUJREP-ZDUSSCGKSA-N
XLogP1.07
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide dihydrochloride
CID 70782724
6-(difluoromethyl)-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrimidine-4-carboxamide
CID 164630490
N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine
CID 168879395
N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 169686128
2-(3-methylimidazol-4-yl)-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 177772757
N-(1-cyanopiperidin-4-yl)-2-(3-methylimidazol-4-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 177772829
N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70764187
(4R)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95896887
4-methyl-2-{4-[(4-methyl-1H-imidazol-2-yl)carbonyl]piperazin-1-yl}-6-(trifluoromethyl)pyrimidine
CID 118790346
(2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996068
2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
CID 128997386
2,6-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
CID 129338815

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 95896886) is (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2NCCc3[nH]cnc32)n1.
What is the InChIKey of (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is FFOFJAHJUUJREP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-8-6-10(15(16,17)18)24-11(23-8)3-5-20-14(25)13-12-9(2-4-19-13)21-7-22-12/h6-7,13,19H,2-5H2,1H3,(H,20,25)(H,21,22)/t13-/m0/s1.
What are the key properties of (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 95896886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).