(7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C30H31N7O7S — CID 164537410

About (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

(7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537410) has the molecular formula C30H31N7O7S and a molecular weight of 633.69 g/mol. Its IUPAC name is (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
• PubChem CID: 164537410
• Molecular Formula: C30H31N7O7S
• Molecular Weight: 633.69 g/mol
• Exact Mass: 633.20
• IUPAC Name: (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
• SMILES: COc1ccccc1Oc1ccc(-n2nc3c(c2C(N)=O)NCC[C@H]3N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1
• InChI: InChI=1S/C30H31N7O7S/c1-43-24-7-3-4-8-25(24)44-21-12-10-20(11-13-21)36-29(30(31)38)28-27(33-36)23(14-15-32-28)34-16-18-35(19-17-34)45(41,42)26-9-5-2-6-22(26)37(39)40/h2-13,23,32H,14-19H2,1H3,(H2,31,38)/t23-/m1/s1
• InChIKey: LWRBFIRVWJAZNF-HSZRJFAPSA-N
• XLogP: 3.54
• TPSA: 175.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.69
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

The IUPAC name of (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537410) is (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

What is the SMILES notation for (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

The canonical SMILES for (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is COc1ccccc1Oc1ccc(-n2nc3c(c2C(N)=O)NCC[C@H]3N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1.

What is the InChIKey of (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

The InChIKey is LWRBFIRVWJAZNF-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H31N7O7S/c1-43-24-7-3-4-8-25(24)44-21-12-10-20(11-13-21)36-29(30(31)38)28-27(33-36)23(14-15-32-28)34-16-18-35(19-17-34)45(41,42)26-9-5-2-6-22(26)37(39)40/h2-13,23,32H,14-19H2,1H3,(H2,31,38)/t23-/m1/s1.

What are the key properties of (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

(7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 633.69 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[4-(2-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).