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

C21H20F2N10OS — CID 123605357

IUPAC8-[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
SMILESCCCC(NC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C21H20F2N10OS/c1-3-4-13(18-25-10-26-28-18)27-21(34)12-7-14(33-20(17(22)23)29-30-31-33)19-24-8-15(32(19)9-12)16-6-5-11(2)35-16/h5-10,13,17H,3-4H2,1-2H3,(H,27,34)(H,25,26,28)
InChIKeyOQFOISBWQCLFQL-UHFFFAOYSA-N
MW498.52 g/mol
LogP3.67
Rot. Bonds8

About 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

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 (PubChem CID 123605357) has the molecular formula C21H20F2N10OS and a molecular weight of 498.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID123605357
Molecular FormulaC21H20F2N10OS
Molecular Weight498.52 g/mol
Exact Mass498.15
IUPAC Name8-[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
SMILESCCCC(NC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C21H20F2N10OS/c1-3-4-13(18-25-10-26-28-18)27-21(34)12-7-14(33-20(17(22)23)29-30-31-33)19-24-8-15(32(19)9-12)16-6-5-11(2)35-16/h5-10,13,17H,3-4H2,1-2H3,(H,27,34)(H,25,26,28)
InChIKeyOQFOISBWQCLFQL-UHFFFAOYSA-N
XLogP3.67
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

CID 1000253
CID 1000253
CID 20620157
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CID 59603981
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CID 134539804
CID 134539804
CID 118538746
CID 118538746
CID 134539755
CID 134539755
CID 134539766
CID 134539766
CID 1000338
CID 1000338
CID 145966266
CID 145966266
CID 145971606
CID 145971606
CID 164622155
CID 164622155
CID 58046384
CID 58046384

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(NC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1.
What is the InChIKey of 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?
The InChIKey is OQFOISBWQCLFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N10OS/c1-3-4-13(18-25-10-26-28-18)27-21(34)12-7-14(33-20(17(22)23)29-30-31-33)19-24-8-15(32(19)9-12)16-6-5-11(2)35-16/h5-10,13,17H,3-4H2,1-2H3,(H,27,34)(H,25,26,28).
What are the key properties of 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?
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 has a molecular weight of 498.52 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123605357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).