8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C23H19F2N7O2S — CID 118168163

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C23H19F2N7O2S/c1-13-3-5-19(35-13)17-10-27-22-16(32-18(21(24)25)11-29-30-32)7-15(12-31(17)22)23(33)28-9-14-4-6-20(34-2)26-8-14/h3-8,10-12,21H,9H2,1-2H3,(H,28,33)
InChIKeyUQPPHEIHKXPWTB-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.22
Rot. Bonds7

About 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168163) has the molecular formula C23H19F2N7O2S and a molecular weight of 495.52 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168163
Molecular FormulaC23H19F2N7O2S
Molecular Weight495.52 g/mol
Exact Mass495.13
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C23H19F2N7O2S/c1-13-3-5-19(35-13)17-10-27-22-16(32-18(21(24)25)11-29-30-32)7-15(12-31(17)22)23(33)28-9-14-4-6-20(34-2)26-8-14/h3-8,10-12,21H,9H2,1-2H3,(H,28,33)
InChIKeyUQPPHEIHKXPWTB-UHFFFAOYSA-N
XLogP4.22
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168163) is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is COc1ccc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UQPPHEIHKXPWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O2S/c1-13-3-5-19(35-13)17-10-27-22-16(32-18(21(24)25)11-29-30-32)7-15(12-31(17)22)23(33)28-9-14-4-6-20(34-2)26-8-14/h3-8,10-12,21H,9H2,1-2H3,(H,28,33).
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(6-methoxy-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).