1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

C23H21F3N6OS — CID 46840335

IUPAC1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(cn1)ncn2C1CCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C23H21F3N6OS/c1-13(20-11-28-22(34-20)31-15-7-5-14(6-8-15)23(24,25)26)30-21(33)17-9-19-18(10-27-17)29-12-32(19)16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,28,31)(H,30,33)/t13-/m1/s1
InChIKeyHETKQVLUILZIMM-CYBMUJFWSA-N
MW486.52 g/mol
LogP5.87
Rot. Bonds6

About 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46840335) has the molecular formula C23H21F3N6OS and a molecular weight of 486.52 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46840335
Molecular FormulaC23H21F3N6OS
Molecular Weight486.52 g/mol
Exact Mass486.14
IUPAC Name1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(cn1)ncn2C1CCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C23H21F3N6OS/c1-13(20-11-28-22(34-20)31-15-7-5-14(6-8-15)23(24,25)26)30-21(33)17-9-19-18(10-27-17)29-12-32(19)16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,28,31)(H,30,33)/t13-/m1/s1
InChIKeyHETKQVLUILZIMM-CYBMUJFWSA-N
XLogP5.87
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 46840335) is 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is C[C@@H](NC(=O)c1cc2c(cn1)ncn2C1CCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is HETKQVLUILZIMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H21F3N6OS/c1-13(20-11-28-22(34-20)31-15-7-5-14(6-8-15)23(24,25)26)30-21(33)17-9-19-18(10-27-17)29-12-32(19)16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,28,31)(H,30,33)/t13-/m1/s1.
What are the key properties of 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46840335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).