N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C₂₃H₂₆FN₅O₃ — CID 142576637

About N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142576637) has the molecular formula C₂₃H₂₆FN₅O₃ and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 142576637
• Molecular Formula: C₂₃H₂₆FN₅O₃
• Molecular Weight: 439.49 g/mol
• Exact Mass: 439.20
• IUPAC Name: N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4cccc(F)c4[nH]2)CC3)CC1
• InChI: InChI=1S/C23H26FN5O3/c1-3-32-13-23(8-9-23)28(2)22(31)20-15-12-29(10-7-17(15)26-27-20)21(30)18-11-14-5-4-6-16(24)19(14)25-18/h4-6,11,25H,3,7-10,12-13H2,1-2H3,(H,26,27)
• InChIKey: LLPZVPPBTBQZSL-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 94.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.49
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 142576637) is N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4cccc(F)c4[nH]2)CC3)CC1.

What is the InChIKey of N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is LLPZVPPBTBQZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-3-32-13-23(8-9-23)28(2)22(31)20-15-12-29(10-7-17(15)26-27-20)21(30)18-11-14-5-4-6-16(24)19(14)25-18/h4-6,11,25H,3,7-10,12-13H2,1-2H3,(H,26,27).

What are the key properties of N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(ethoxymethyl)cyclopropyl]-5-(7-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142576637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142576637 — identifiers, structure, computed properties (public domain)

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