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

C19H16F2N10OS — CID 118168170

IUPAC8-[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
SMILESCc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C19H16F2N10OS/c1-9-3-4-14(33-9)13-6-22-17-12(31-18(15(20)21)27-28-29-31)5-11(7-30(13)17)19(32)25-10(2)16-23-8-24-26-16/h3-8,10,15H,1-2H3,(H,25,32)(H,23,24,26)
InChIKeyQKDHVGHJXQDFDW-UHFFFAOYSA-N
MW470.47 g/mol
LogP2.89
Rot. Bonds6

About 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

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 (PubChem CID 118168170) has the molecular formula C19H16F2N10OS and a molecular weight of 470.47 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)ethyl]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)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168170
Molecular FormulaC19H16F2N10OS
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name8-[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
SMILESCc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C19H16F2N10OS/c1-9-3-4-14(33-9)13-6-22-17-12(31-18(15(20)21)27-28-29-31)5-11(7-30(13)17)19(32)25-10(2)16-23-8-24-26-16/h3-8,10,15H,1-2H3,(H,25,32)(H,23,24,26)
InChIKeyQKDHVGHJXQDFDW-UHFFFAOYSA-N
XLogP2.89
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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)ethyl]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)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168170) is 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.
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)ethyl]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)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2cnc3c(-n4nnnc4C(F)F)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1.
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)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is QKDHVGHJXQDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N10OS/c1-9-3-4-14(33-9)13-6-22-17-12(31-18(15(20)21)27-28-29-31)5-11(7-30(13)17)19(32)25-10(2)16-23-8-24-26-16/h3-8,10,15H,1-2H3,(H,25,32)(H,23,24,26).
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)ethyl]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)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 2.89, 6 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)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).