3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide

C30H29N7O — CID 145245660

About 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide

3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 145245660) has the molecular formula C30H29N7O and a molecular weight of 503.61 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 145245660
• Molecular Formula: C30H29N7O
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.24
• IUPAC Name: 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c([nH]4)C=CCC5(C)c4ccncc4)c3c2)c1
• InChI: InChI=1S/C30H29N7O/c1-18(2)11-27(38)34-22-12-19(15-32-17-22)20-13-23-28(36-37-29(23)33-16-20)26-14-24-25(35-26)5-4-8-30(24,3)21-6-9-31-10-7-21/h4-7,9-10,12-18,35H,8,11H2,1-3H3,(H,34,38)(H,33,36,37)
• InChIKey: IJHXGWBZTKIMCP-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 145245660) is 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c([nH]4)C=CCC5(C)c4ccncc4)c3c2)c1.

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

The InChIKey is IJHXGWBZTKIMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O/c1-18(2)11-27(38)34-22-12-19(15-32-17-22)20-13-23-28(36-37-29(23)33-16-20)26-14-24-25(35-26)5-4-8-30(24,3)21-6-9-31-10-7-21/h4-7,9-10,12-18,35H,8,11H2,1-3H3,(H,34,38)(H,33,36,37).

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

3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 503.61 g/mol, XLogP of 6.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[3-(4-methyl-4-pyridin-4-yl-1,5-dihydroindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 145245660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).