N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide

C28H23N7O — CID 137113222

About N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide

N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137113222) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137113222
• Molecular Formula: C28H23N7O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.20
• IUPAC Name: N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CCCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C28H23N7O/c1-2-5-27(36)32-19-10-18(14-30-15-19)24-12-22-26(16-31-24)34-35-28(22)25-11-21-20(7-3-8-23(21)33-25)17-6-4-9-29-13-17/h3-4,6-16,33H,2,5H2,1H3,(H,32,36)(H,34,35)
• InChIKey: GQZFHRYMKUNIDZ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137113222) is N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccnc6)cccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is GQZFHRYMKUNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-2-5-27(36)32-19-10-18(14-30-15-19)24-12-22-26(16-31-24)34-35-28(22)25-11-21-20(7-3-8-23(21)33-25)17-6-4-9-29-13-17/h3-4,6-16,33H,2,5H2,1H3,(H,32,36)(H,34,35).

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

N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 473.54 g/mol, XLogP of 5.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137113222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).