8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

C24H27N9OS — CID 118168132

IUPAC8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1cc(-n2nncc2C(C)(C)C)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C24H27N9OS/c1-6-16(21-26-13-28-30-21)29-23(34)15-9-17(33-20(11-27-31-33)24(3,4)5)22-25-10-18(32(22)12-15)19-8-7-14(2)35-19/h7-13,16H,6H2,1-5H3,(H,29,34)(H,26,28,30)
InChIKeyOGVXAKMUMVZJBL-UHFFFAOYSA-N
MW489.61 g/mol
LogP4.25
Rot. Bonds6

About 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168132) has the molecular formula C24H27N9OS and a molecular weight of 489.61 g/mol. Its IUPAC name is 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168132
Molecular FormulaC24H27N9OS
Molecular Weight489.61 g/mol
Exact Mass489.21
IUPAC Name8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1cc(-n2nncc2C(C)(C)C)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C24H27N9OS/c1-6-16(21-26-13-28-30-21)29-23(34)15-9-17(33-20(11-27-31-33)24(3,4)5)22-25-10-18(32(22)12-15)19-8-7-14(2)35-19/h7-13,16H,6H2,1-5H3,(H,29,34)(H,26,28,30)
InChIKeyOGVXAKMUMVZJBL-UHFFFAOYSA-N
XLogP4.25
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168132) is 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is CCC(NC(=O)c1cc(-n2nncc2C(C)(C)C)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1.
What is the InChIKey of 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is OGVXAKMUMVZJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9OS/c1-6-16(21-26-13-28-30-21)29-23(34)15-9-17(33-20(11-27-31-33)24(3,4)5)22-25-10-18(32(22)12-15)19-8-7-14(2)35-19/h7-13,16H,6H2,1-5H3,(H,29,34)(H,26,28,30).
What are the key properties of 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 489.61 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-tert-butyltriazol-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).