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

C19H15ClF2N10OS — CID 118168343

IUPAC3-(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
SMILESCCC(NC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(Cl)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C19H15ClF2N10OS/c1-2-10(16-24-8-25-27-16)26-19(33)9-5-11(32-18(15(21)22)28-29-30-32)17-23-6-12(31(17)7-9)13-3-4-14(20)34-13/h3-8,10,15H,2H2,1H3,(H,26,33)(H,24,25,27)
InChIKeyZWTCDUFGILKCMV-UHFFFAOYSA-N
MW504.91 g/mol
LogP3.63
Rot. Bonds7

About 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

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 (PubChem CID 118168343) has the molecular formula C19H15ClF2N10OS and a molecular weight of 504.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID118168343
Molecular FormulaC19H15ClF2N10OS
Molecular Weight504.91 g/mol
Exact Mass504.08
IUPAC Name3-(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
SMILESCCC(NC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(Cl)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C19H15ClF2N10OS/c1-2-10(16-24-8-25-27-16)26-19(33)9-5-11(32-18(15(21)22)28-29-30-32)17-23-6-12(31(17)7-9)13-3-4-14(20)34-13/h3-8,10,15H,2H2,1H3,(H,26,33)(H,24,25,27)
InChIKeyZWTCDUFGILKCMV-UHFFFAOYSA-N
XLogP3.63
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.91
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(NC(=O)c1cc(-n2nnnc2C(F)F)c2ncc(-c3ccc(Cl)s3)n2c1)c1ncn[nH]1.
What is the InChIKey of 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?
The InChIKey is ZWTCDUFGILKCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N10OS/c1-2-10(16-24-8-25-27-16)26-19(33)9-5-11(32-18(15(21)22)28-29-30-32)17-23-6-12(31(17)7-9)13-3-4-14(20)34-13/h3-8,10,15H,2H2,1H3,(H,26,33)(H,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 504.91 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118168343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).