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

C24H23F3N6O2S — CID 46841876

IUPAC1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C1CCOCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C24H23F3N6O2S/c1-14(21-12-29-23(36-21)32-16-4-2-15(3-5-16)24(25,26)27)31-22(34)18-10-20-19(11-28-18)30-13-33(20)17-6-8-35-9-7-17/h2-5,10-14,17H,6-9H2,1H3,(H,29,32)(H,31,34)
InChIKeyFTTVPQNSKWPADC-UHFFFAOYSA-N
MW516.55 g/mol
LogP5.49
Rot. Bonds6

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

1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46841876) has the molecular formula C24H23F3N6O2S and a molecular weight of 516.55 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46841876
Molecular FormulaC24H23F3N6O2S
Molecular Weight516.55 g/mol
Exact Mass516.16
IUPAC Name1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C1CCOCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C24H23F3N6O2S/c1-14(21-12-29-23(36-21)32-16-4-2-15(3-5-16)24(25,26)27)31-22(34)18-10-20-19(11-28-18)30-13-33(20)17-6-8-35-9-7-17/h2-5,10-14,17H,6-9H2,1H3,(H,29,32)(H,31,34)
InChIKeyFTTVPQNSKWPADC-UHFFFAOYSA-N
XLogP5.49
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 46841876) is 1-(oxan-4-yl)-N-[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-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2c(cn1)ncn2C1CCOCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is FTTVPQNSKWPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2S/c1-14(21-12-29-23(36-21)32-16-4-2-15(3-5-16)24(25,26)27)31-22(34)18-10-20-19(11-28-18)30-13-33(20)17-6-8-35-9-7-17/h2-5,10-14,17H,6-9H2,1H3,(H,29,32)(H,31,34).
What are the key properties of 1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46841876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).