(3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

C32H39N9O2 — CID 135259127

About (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

(3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide (PubChem CID 135259127) has the molecular formula C32H39N9O2 and a molecular weight of 581.73 g/mol. Its IUPAC name is (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
• PubChem CID: 135259127
• Molecular Formula: C32H39N9O2
• Molecular Weight: 581.73 g/mol
• Exact Mass: 581.32
• IUPAC Name: (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
• SMILES: CCN(C(=O)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncn(C)n4)cc3)CC2)C1)c1ccc2n[nH]c(C3CC3)c2c1
• InChI: InChI=1S/C32H39N9O2/c1-3-41(26-10-11-28-27(18-26)30(35-34-28)22-4-5-22)32(43)24-12-13-38(19-24)20-29(42)40-16-14-39(15-17-40)25-8-6-23(7-9-25)31-33-21-37(2)36-31/h6-11,18,21-22,24H,3-5,12-17,19-20H2,1-2H3,(H,34,35)/t24-/m1/s1
• InChIKey: DNRCJYQXVQXMGX-XMMPIXPASA-N
• XLogP: 3.26
• TPSA: 106.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.73
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide (CID 135259127) is (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide is CCN(C(=O)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncn(C)n4)cc3)CC2)C1)c1ccc2n[nH]c(C3CC3)c2c1.

What is the InChIKey of (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The InChIKey is DNRCJYQXVQXMGX-XMMPIXPASA-N. The full InChI is InChI=1S/C32H39N9O2/c1-3-41(26-10-11-28-27(18-26)30(35-34-28)22-4-5-22)32(43)24-12-13-38(19-24)20-29(42)40-16-14-39(15-17-40)25-8-6-23(7-9-25)31-33-21-37(2)36-31/h6-11,18,21-22,24H,3-5,12-17,19-20H2,1-2H3,(H,34,35)/t24-/m1/s1.

What are the key properties of (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

(3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide has a molecular weight of 581.73 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 135259127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).