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

C22H22N10OS — CID 118168498

IUPAC8-[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
SMILESCc1ccc(-c2cnc3c(-n4nnnc4CC4CC4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H22N10OS/c1-12-3-6-18(34-12)17-9-23-21-16(32-19(27-29-30-32)7-14-4-5-14)8-15(10-31(17)21)22(33)26-13(2)20-24-11-25-28-20/h3,6,8-11,13-14H,4-5,7H2,1-2H3,(H,26,33)(H,24,25,28)
InChIKeyGVDKTVXIXGSVBK-UHFFFAOYSA-N
MW474.55 g/mol
LogP2.91
Rot. Bonds7

About 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

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 (PubChem CID 118168498) has the molecular formula C22H22N10OS and a molecular weight of 474.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID118168498
Molecular FormulaC22H22N10OS
Molecular Weight474.55 g/mol
Exact Mass474.17
IUPAC Name8-[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
SMILESCc1ccc(-c2cnc3c(-n4nnnc4CC4CC4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H22N10OS/c1-12-3-6-18(34-12)17-9-23-21-16(32-19(27-29-30-32)7-14-4-5-14)8-15(10-31(17)21)22(33)26-13(2)20-24-11-25-28-20/h3,6,8-11,13-14H,4-5,7H2,1-2H3,(H,26,33)(H,24,25,28)
InChIKeyGVDKTVXIXGSVBK-UHFFFAOYSA-N
XLogP2.91
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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CID 145966266
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CID 134539422

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cnc3c(-n4nnnc4CC4CC4)cc(C(=O)NC(C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 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?
The InChIKey is GVDKTVXIXGSVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10OS/c1-12-3-6-18(34-12)17-9-23-21-16(32-19(27-29-30-32)7-14-4-5-14)8-15(10-31(17)21)22(33)26-13(2)20-24-11-25-28-20/h3,6,8-11,13-14H,4-5,7H2,1-2H3,(H,26,33)(H,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 474.55 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118168498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).