3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide

C30H33N5OS — CID 67991090

About 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide

3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 67991090) has the molecular formula C30H33N5OS and a molecular weight of 511.70 g/mol. Its IUPAC name is 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide
• PubChem CID: 67991090
• Molecular Formula: C30H33N5OS
• Molecular Weight: 511.70 g/mol
• Exact Mass: 511.24
• IUPAC Name: 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide
• SMILES: CC1CCC(C2=C(c3cc(-c4ccc(-n5cc6ncccc6n5)cc4)sc3C(N)=O)CCN(C)C2)CC1
• InChI: InChI=1S/C30H33N5OS/c1-19-5-7-20(8-6-19)25-17-34(2)15-13-23(25)24-16-28(37-29(24)30(31)36)21-9-11-22(12-10-21)35-18-27-26(33-35)4-3-14-32-27/h3-4,9-12,14,16,18-20H,5-8,13,15,17H2,1-2H3,(H2,31,36)
• InChIKey: KGAZJDGRJANCSZ-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.70
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide?

The IUPAC name of 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide (CID 67991090) is 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide.

What is the SMILES notation for 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide?

The canonical SMILES for 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide is CC1CCC(C2=C(c3cc(-c4ccc(-n5cc6ncccc6n5)cc4)sc3C(N)=O)CCN(C)C2)CC1.

What is the InChIKey of 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide?

The InChIKey is KGAZJDGRJANCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5OS/c1-19-5-7-20(8-6-19)25-17-34(2)15-13-23(25)24-16-28(37-29(24)30(31)36)21-9-11-22(12-10-21)35-18-27-26(33-35)4-3-14-32-27/h3-4,9-12,14,16,18-20H,5-8,13,15,17H2,1-2H3,(H2,31,36).

What are the key properties of 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide?

3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 511.70 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-(4-pyrazolo[4,3-b]pyridin-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 67991090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).