(3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

C36H39N9O2 — CID 135259248

About (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

(3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide (PubChem CID 135259248) has the molecular formula C36H39N9O2 and a molecular weight of 629.77 g/mol. Its IUPAC name is (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
• PubChem CID: 135259248
• Molecular Formula: C36H39N9O2
• Molecular Weight: 629.77 g/mol
• Exact Mass: 629.32
• IUPAC Name: (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
• SMILES: CCN(C(=O)[C@@H]1CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1)c1ccc2[nH]nc(-c3ccc(C)nc3)c2c1
• InChI: InChI=1S/C36H39N9O2/c1-4-45(30-11-12-32-31(19-30)34(40-39-32)28-6-5-24(2)37-20-28)36(47)29-13-16-43(21-29)22-33(46)44-17-14-26(15-18-44)25-7-9-27(10-8-25)35-38-23-42(3)41-35/h5-12,14,19-20,23,29H,4,13,15-18,21-22H2,1-3H3,(H,39,40)/t29-/m1/s1
• InChIKey: SDPQDKACCMEKSQ-GDLZYMKVSA-N
• XLogP: 4.72
• TPSA: 116.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.77
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide (CID 135259248) is (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide is CCN(C(=O)[C@@H]1CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1)c1ccc2[nH]nc(-c3ccc(C)nc3)c2c1.

What is the InChIKey of (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

The InChIKey is SDPQDKACCMEKSQ-GDLZYMKVSA-N. The full InChI is InChI=1S/C36H39N9O2/c1-4-45(30-11-12-32-31(19-30)34(40-39-32)28-6-5-24(2)37-20-28)36(47)29-13-16-43(21-29)22-33(46)44-17-14-26(15-18-44)25-7-9-27(10-8-25)35-38-23-42(3)41-35/h5-12,14,19-20,23,29H,4,13,15-18,21-22H2,1-3H3,(H,39,40)/t29-/m1/s1.

What are the key properties of (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide?

(3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide has a molecular weight of 629.77 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-ethyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 135259248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).