2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

C29H26N6OS — CID 137114680

About 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137114680) has the molecular formula C29H26N6OS and a molecular weight of 506.64 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137114680
• Molecular Formula: C29H26N6OS
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.19
• IUPAC Name: 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)(C)C)c6)nc45)cc23)s1
• InChI: InChI=1S/C29H26N6OS/c1-16-8-11-25(37-16)19-6-5-7-22-20(19)13-24(32-22)27-26-23(34-35-27)10-9-21(33-26)17-12-18(15-30-14-17)31-28(36)29(2,3)4/h5-15,32H,1-4H3,(H,31,36)(H,34,35)
• InChIKey: IWZSBLYSEADRMJ-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137114680) is 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)(C)C)c6)nc45)cc23)s1.

What is the InChIKey of 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is IWZSBLYSEADRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6OS/c1-16-8-11-25(37-16)19-6-5-7-22-20(19)13-24(32-22)27-26-23(34-35-27)10-9-21(33-26)17-12-18(15-30-14-17)31-28(36)29(2,3)4/h5-15,32H,1-4H3,(H,31,36)(H,34,35).

What are the key properties of 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 506.64 g/mol, XLogP of 7.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137114680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).