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

C₃₇H₄₂N₁₀O₃ — CID 154968189

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

(3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide (PubChem CID 154968189) has the molecular formula C₃₇H₄₂N₁₀O₃ and a molecular weight of 674.81 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide
• PubChem CID: 154968189
• Molecular Formula: C₃₇H₄₂N₁₀O₃
• Molecular Weight: 674.81 g/mol
• Exact Mass: 674.34
• IUPAC Name: (3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide
• SMILES: CCN(C(=O)[C@@H]1CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)nc3)CC2)C1)c1ccc2[nH]nc(-c3ccc(OC(C)C)cc3)c2n1
• InChI: InChI=1S/C37H42N10O3/c1-5-47(32-13-12-30-35(40-32)34(42-41-30)26-6-9-29(10-7-26)50-24(2)3)37(49)28-14-17-45(21-28)22-33(48)46-18-15-25(16-19-46)27-8-11-31(38-20-27)36-39-23-44(4)43-36/h6-13,15,20,23-24,28H,5,14,16-19,21-22H2,1-4H3,(H,41,42)/t28-/m1/s1
• InChIKey: HAJBINBHTWYDAK-MUUNZHRXSA-N
• XLogP: 4.59
• TPSA: 138.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	674.81
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide (CID 154968189) is (3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide is CCN(C(=O)[C@@H]1CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)nc3)CC2)C1)c1ccc2[nH]nc(-c3ccc(OC(C)C)cc3)c2n1.

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

The InChIKey is HAJBINBHTWYDAK-MUUNZHRXSA-N. The full InChI is InChI=1S/C37H42N10O3/c1-5-47(32-13-12-30-35(40-32)34(42-41-30)26-6-9-29(10-7-26)50-24(2)3)37(49)28-14-17-45(21-28)22-33(48)46-18-15-25(16-19-46)27-8-11-31(38-20-27)36-39-23-44(4)43-36/h6-13,15,20,23-24,28H,5,14,16-19,21-22H2,1-4H3,(H,41,42)/t28-/m1/s1.

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

(3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 674.81 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154968189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154968189 — identifiers, structure, computed properties (public domain)

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