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

C20H16F2N10OS — CID 118168188

IUPAC8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C20H16F2N10OS/c1-10-4-27-20(34-10)15-8-25-17-14(32-18(16(21)22)28-29-30-32)3-13(9-31(15)17)19(33)26-7-12-5-23-11(2)24-6-12/h3-6,8-9,16H,7H2,1-2H3,(H,26,33)
InChIKeyWPXAZTIWDXKIDM-UHFFFAOYSA-N
MW482.48 g/mol
LogP2.71
Rot. Bonds6

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

8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168188) has the molecular formula C20H16F2N10OS and a molecular weight of 482.48 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168188
Molecular FormulaC20H16F2N10OS
Molecular Weight482.48 g/mol
Exact Mass482.12
IUPAC Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C20H16F2N10OS/c1-10-4-27-20(34-10)15-8-25-17-14(32-18(16(21)22)28-29-30-32)3-13(9-31(15)17)19(33)26-7-12-5-23-11(2)24-6-12/h3-6,8-9,16H,7H2,1-2H3,(H,26,33)
InChIKeyWPXAZTIWDXKIDM-UHFFFAOYSA-N
XLogP2.71
TPSA128.67 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168188) is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is WPXAZTIWDXKIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N10OS/c1-10-4-27-20(34-10)15-8-25-17-14(32-18(16(21)22)28-29-30-32)3-13(9-31(15)17)19(33)26-7-12-5-23-11(2)24-6-12/h3-6,8-9,16H,7H2,1-2H3,(H,26,33).
What are the key properties of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).