[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone

C17H20F3N5OS — CID 97339533

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CCn4c(cnc4C(F)(F)F)C3)CC2)n1
InChIInChI=1S/C17H20F3N5OS/c1-11-10-27-16(22-11)24-6-4-23(5-7-24)14(26)12-2-3-25-13(8-12)9-21-15(25)17(18,19)20/h9-10,12H,2-8H2,1H3/t12-/m1/s1
InChIKeyUSLWRZBIQRLLQJ-GFCCVEGCSA-N
MW399.44 g/mol
LogP2.58
Rot. Bonds2

About [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone (PubChem CID 97339533) has the molecular formula C17H20F3N5OS and a molecular weight of 399.44 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
PubChem CID97339533
Molecular FormulaC17H20F3N5OS
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CCn4c(cnc4C(F)(F)F)C3)CC2)n1
InChIInChI=1S/C17H20F3N5OS/c1-11-10-27-16(22-11)24-6-4-23(5-7-24)14(26)12-2-3-25-13(8-12)9-21-15(25)17(18,19)20/h9-10,12H,2-8H2,1H3/t12-/m1/s1
InChIKeyUSLWRZBIQRLLQJ-GFCCVEGCSA-N
XLogP2.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone with MolForge

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Related Compounds

(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 94168138
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168144
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one
CID 97339707
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 86991316
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110741651
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 86848972
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47897487
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168140
trans-(1R,2R)-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 167872607

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone (CID 97339533) is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone is Cc1csc(N2CCN(C(=O)[C@@H]3CCn4c(cnc4C(F)(F)F)C3)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
The InChIKey is USLWRZBIQRLLQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20F3N5OS/c1-11-10-27-16(22-11)24-6-4-23(5-7-24)14(26)12-2-3-25-13(8-12)9-21-15(25)17(18,19)20/h9-10,12H,2-8H2,1H3/t12-/m1/s1.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone has a molecular weight of 399.44 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone is sourced from PubChem (CID 97339533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).