8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C22H19F2N9OS — CID 118168142

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc([C@@H](C)NC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C22H19F2N9OS/c1-11-5-28-22(35-11)18-8-27-20-16(33-17(19(23)24)9-29-31-33)4-14(10-32(18)20)21(34)30-12(2)15-6-25-13(3)26-7-15/h4-10,12,19H,1-3H3,(H,30,34)/t12-/m1/s1
InChIKeyIKDYDJLHSWGQJP-GFCCVEGCSA-N
MW495.52 g/mol
LogP3.87
Rot. Bonds6

About 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168142) has the molecular formula C22H19F2N9OS and a molecular weight of 495.52 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168142
Molecular FormulaC22H19F2N9OS
Molecular Weight495.52 g/mol
Exact Mass495.14
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc([C@@H](C)NC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C22H19F2N9OS/c1-11-5-28-22(35-11)18-8-27-20-16(33-17(19(23)24)9-29-31-33)4-14(10-32(18)20)21(34)30-12(2)15-6-25-13(3)26-7-15/h4-10,12,19H,1-3H3,(H,30,34)/t12-/m1/s1
InChIKeyIKDYDJLHSWGQJP-GFCCVEGCSA-N
XLogP3.87
TPSA115.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168142) is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc([C@@H](C)NC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is IKDYDJLHSWGQJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H19F2N9OS/c1-11-5-28-22(35-11)18-8-27-20-16(33-17(19(23)24)9-29-31-33)4-14(10-32(18)20)21(34)30-12(2)15-6-25-13(3)26-7-15/h4-10,12,19H,1-3H3,(H,30,34)/t12-/m1/s1.
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).