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

C22H18F2N8OS — CID 118168102

IUPAC8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H18F2N8OS/c1-12-3-5-14(8-25-12)9-27-22(33)15-7-16(32-21(19(23)24)28-29-30-32)20-26-10-17(31(20)11-15)18-6-4-13(2)34-18/h3-8,10-11,19H,9H2,1-2H3,(H,27,33)
InChIKeyAVROOLVSDIVYSY-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.92
Rot. Bonds6

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

8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168102) has the molecular formula C22H18F2N8OS and a molecular weight of 480.50 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168102
Molecular FormulaC22H18F2N8OS
Molecular Weight480.50 g/mol
Exact Mass480.13
IUPAC Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H18F2N8OS/c1-12-3-5-14(8-25-12)9-27-22(33)15-7-16(32-21(19(23)24)28-29-30-32)20-26-10-17(31(20)11-15)18-6-4-13(2)34-18/h3-8,10-11,19H,9H2,1-2H3,(H,27,33)
InChIKeyAVROOLVSDIVYSY-UHFFFAOYSA-N
XLogP3.92
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one
CID 153102927
3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one
CID 147330265
8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168170
8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168317
8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168036
8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118167985
8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 123605357
3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)tetrazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168343
N-[(1-hydroxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 148942146
N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-8-(4-methylpiperidin-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 123497789
8-[5-(cyclopropylmethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168498
8-[5-(cyclopropylmethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168495

Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168102) is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AVROOLVSDIVYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N8OS/c1-12-3-5-14(8-25-12)9-27-22(33)15-7-16(32-21(19(23)24)28-29-30-32)20-26-10-17(31(20)11-15)18-6-4-13(2)34-18/h3-8,10-11,19H,9H2,1-2H3,(H,27,33).
What are the key properties of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).