1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C31H27N5O4 — CID 144670144

About 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 144670144) has the molecular formula C31H27N5O4 and a molecular weight of 533.59 g/mol. Its IUPAC name is 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 144670144
• Molecular Formula: C31H27N5O4
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.21
• IUPAC Name: 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: NC(=O)c1nn(-c2ccc(OC3c4ccccc43)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
• InChI: InChI=1S/C31H27N5O4/c32-30(38)27-25-16-18-35(20-10-8-19(9-11-20)34-17-4-3-7-26(34)37)31(39)28(25)36(33-27)21-12-14-22(15-13-21)40-29-23-5-1-2-6-24(23)29/h1-2,5-6,8-15,29H,3-4,7,16-18H2,(H2,32,38)
• InChIKey: VSJAUZTUEYBZFS-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 110.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 144670144) is 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc(OC3c4ccccc43)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.

What is the InChIKey of 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is VSJAUZTUEYBZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O4/c32-30(38)27-25-16-18-35(20-10-8-19(9-11-20)34-17-4-3-7-26(34)37)31(39)28(25)36(33-27)21-12-14-22(15-13-21)40-29-23-5-1-2-6-24(23)29/h1-2,5-6,8-15,29H,3-4,7,16-18H2,(H2,32,38).

What are the key properties of 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 144670144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).