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

C24H24F3N7O2S — CID 46840629

IUPAC1-[1-(2-hydroxyethyl)azetidin-3-yl]-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)ncn2C1CN(CCO)C1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C24H24F3N7O2S/c1-14(21-10-29-23(37-21)32-16-4-2-15(3-5-16)24(25,26)27)31-22(36)18-8-20-19(9-28-18)30-13-34(20)17-11-33(12-17)6-7-35/h2-5,8-10,13-14,17,35H,6-7,11-12H2,1H3,(H,29,32)(H,31,36)/t14-/m1/s1
InChIKeyCKIKTCNAXWVKHR-CQSZACIVSA-N
MW531.56 g/mol
LogP3.99
Rot. Bonds8

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

1-[1-(2-hydroxyethyl)azetidin-3-yl]-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46840629) has the molecular formula C24H24F3N7O2S and a molecular weight of 531.56 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)azetidin-3-yl]-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)azetidin-3-yl]-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46840629
Molecular FormulaC24H24F3N7O2S
Molecular Weight531.56 g/mol
Exact Mass531.17
IUPAC Name1-[1-(2-hydroxyethyl)azetidin-3-yl]-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)ncn2C1CN(CCO)C1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C24H24F3N7O2S/c1-14(21-10-29-23(37-21)32-16-4-2-15(3-5-16)24(25,26)27)31-22(36)18-8-20-19(9-28-18)30-13-34(20)17-11-33(12-17)6-7-35/h2-5,8-10,13-14,17,35H,6-7,11-12H2,1H3,(H,29,32)(H,31,36)/t14-/m1/s1
InChIKeyCKIKTCNAXWVKHR-CQSZACIVSA-N
XLogP3.99
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)azetidin-3-yl]-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-[1-(2-hydroxyethyl)azetidin-3-yl]-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 46840629) is 1-[1-(2-hydroxyethyl)azetidin-3-yl]-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-[1-(2-hydroxyethyl)azetidin-3-yl]-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-[1-(2-hydroxyethyl)azetidin-3-yl]-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)ncn2C1CN(CCO)C1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)azetidin-3-yl]-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is CKIKTCNAXWVKHR-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24F3N7O2S/c1-14(21-10-29-23(37-21)32-16-4-2-15(3-5-16)24(25,26)27)31-22(36)18-8-20-19(9-28-18)30-13-34(20)17-11-33(12-17)6-7-35/h2-5,8-10,13-14,17,35H,6-7,11-12H2,1H3,(H,29,32)(H,31,36)/t14-/m1/s1.
What are the key properties of 1-[1-(2-hydroxyethyl)azetidin-3-yl]-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-[1-(2-hydroxyethyl)azetidin-3-yl]-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 531.56 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)azetidin-3-yl]-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 46840629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).