(7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C17H18F3N5OS — CID 97339626

IUPAC(7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1nc2sccn2c1CN(C)C(=O)[C@H]1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C17H18F3N5OS/c1-10-13(25-5-6-27-16(25)22-10)9-23(2)14(26)11-3-4-24-12(7-11)8-21-15(24)17(18,19)20/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKeyWOSBFRHPPIJOAK-NSHDSACASA-N
MW397.43 g/mol
LogP3.14
Rot. Bonds3

About (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97339626) has the molecular formula C17H18F3N5OS and a molecular weight of 397.43 g/mol. Its IUPAC name is (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97339626
Molecular FormulaC17H18F3N5OS
Molecular Weight397.43 g/mol
Exact Mass397.12
IUPAC Name(7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1nc2sccn2c1CN(C)C(=O)[C@H]1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C17H18F3N5OS/c1-10-13(25-5-6-27-16(25)22-10)9-23(2)14(26)11-3-4-24-12(7-11)8-21-15(24)17(18,19)20/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKeyWOSBFRHPPIJOAK-NSHDSACASA-N
XLogP3.14
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97339626) is (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is Cc1nc2sccn2c1CN(C)C(=O)[C@H]1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is WOSBFRHPPIJOAK-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F3N5OS/c1-10-13(25-5-6-27-16(25)22-10)9-23(2)14(26)11-3-4-24-12(7-11)8-21-15(24)17(18,19)20/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97339626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).