1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one

C19H25F3N4O2 — CID 97339707

IUPAC1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)CCN1CC1CCCC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)18-23-10-15-9-14(5-6-26(15)18)17(28)25-8-7-24(16(27)12-25)11-13-3-1-2-4-13/h10,13-14H,1-9,11-12H2/t14-/m0/s1
InChIKeySKVAFBXSRRPJLX-AWEZNQCLSA-N
MW398.43 g/mol
LogP2.33
Rot. Bonds3

About 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one

1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one (PubChem CID 97339707) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one
PubChem CID97339707
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)CCN1CC1CCCC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)18-23-10-15-9-14(5-6-26(15)18)17(28)25-8-7-24(16(27)12-25)11-13-3-1-2-4-13/h10,13-14H,1-9,11-12H2/t14-/m0/s1
InChIKeySKVAFBXSRRPJLX-AWEZNQCLSA-N
XLogP2.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10166214, Example 181
CID 117709213
cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 110225733
(3-Cyclopentylpyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 128864606
[(3R)-3-aminopiperidin-1-yl]-(3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 132387078
N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide
CID 123328411
6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 132182486
6-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 155480117
3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472697
N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472776
1-(Cyclopentylmethyl)-4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one
CID 75472784
(7R)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339509
(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339510

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one (CID 97339707) is 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one is O=C1CN(C(=O)[C@H]2CCn3c(cnc3C(F)(F)F)C2)CCN1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one?
The InChIKey is SKVAFBXSRRPJLX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c20-19(21,22)18-23-10-15-9-14(5-6-26(15)18)17(28)25-8-7-24(16(27)12-25)11-13-3-1-2-4-13/h10,13-14H,1-9,11-12H2/t14-/m0/s1.
What are the key properties of 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one?
1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one has a molecular weight of 398.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one is sourced from PubChem (CID 97339707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).