N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C27H27N5OS — CID 91496655

About N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 91496655) has the molecular formula C27H27N5OS and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
• PubChem CID: 91496655
• Molecular Formula: C27H27N5OS
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.19
• IUPAC Name: N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
• SMILES: Cc1ccccc1C(N)C(NC(=O)c1nc(-c2cnn3ccccc23)c(C)s1)C1=CC=CCC1
• InChI: InChI=1S/C27H27N5OS/c1-17-10-6-7-13-20(17)23(28)25(19-11-4-3-5-12-19)30-26(33)27-31-24(18(2)34-27)21-16-29-32-15-9-8-14-22(21)32/h3-4,6-11,13-16,23,25H,5,12,28H2,1-2H3,(H,30,33)
• InChIKey: IXHKAFVCQZNGFY-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 85.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 91496655) is N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is Cc1ccccc1C(N)C(NC(=O)c1nc(-c2cnn3ccccc23)c(C)s1)C1=CC=CCC1.

What is the InChIKey of N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?

The InChIKey is IXHKAFVCQZNGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5OS/c1-17-10-6-7-13-20(17)23(28)25(19-11-4-3-5-12-19)30-26(33)27-31-24(18(2)34-27)21-16-29-32-15-9-8-14-22(21)32/h3-4,6-11,13-16,23,25H,5,12,28H2,1-2H3,(H,30,33).

What are the key properties of N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?

N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 91496655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).