(3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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

C39H43N9O4 — CID 147439463

About (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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 147439463) has the molecular formula C39H43N9O4 and a molecular weight of 701.83 g/mol. Its IUPAC name is (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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: 147439463
• Molecular Formula: C39H43N9O4
• Molecular Weight: 701.83 g/mol
• Exact Mass: 701.34
• IUPAC Name: (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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(OC4CC4)c(OC)n3)c2c1
• InChI: InChI=1S/C39H43N9O4/c1-4-48(29-9-12-32-31(21-29)36(43-42-32)33-13-14-34(38(41-33)51-3)52-30-10-11-30)39(50)28-15-18-46(22-28)23-35(49)47-19-16-26(17-20-47)25-5-7-27(8-6-25)37-40-24-45(2)44-37/h5-9,12-14,16,21,24,28,30H,4,10-11,15,17-20,22-23H2,1-3H3,(H,42,43)/t28-/m1/s1
• InChIKey: DVYAVLSWFJARNY-MUUNZHRXSA-N
• XLogP: 4.96
• TPSA: 134.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.83
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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 147439463) is (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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(OC4CC4)c(OC)n3)c2c1.

What is the InChIKey of (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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 DVYAVLSWFJARNY-MUUNZHRXSA-N. The full InChI is InChI=1S/C39H43N9O4/c1-4-48(29-9-12-32-31(21-29)36(43-42-32)33-13-14-34(38(41-33)51-3)52-30-10-11-30)39(50)28-15-18-46(22-28)23-35(49)47-19-16-26(17-20-47)25-5-7-27(8-6-25)37-40-24-45(2)44-37/h5-9,12-14,16,21,24,28,30H,4,10-11,15,17-20,22-23H2,1-3H3,(H,42,43)/t28-/m1/s1.

What are the key properties of (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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 701.83 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[3-(5-cyclopropyloxy-6-methoxy-2-pyridinyl)-1H-indazol-5-yl]-N-ethyl-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 147439463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).