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

C23H25ClFN5O3 — CID 142576716

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

5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142576716) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is 5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 142576716
• Molecular Formula: C23H25ClFN5O3
• Molecular Weight: 473.94 g/mol
• Exact Mass: 473.16
• IUPAC Name: 5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(Cl)cc(F)cc4[nH]2)CC3)CC1
• InChI: InChI=1S/C23H25ClFN5O3/c1-3-33-12-23(5-6-23)29(2)22(32)20-15-11-30(7-4-17(15)27-28-20)21(31)19-10-14-16(24)8-13(25)9-18(14)26-19/h8-10,26H,3-7,11-12H2,1-2H3,(H,27,28)
• InChIKey: KTTMUEZLXLQSRH-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 94.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.94
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 142576716) is 5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(Cl)cc(F)cc4[nH]2)CC3)CC1.

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

The InChIKey is KTTMUEZLXLQSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c1-3-33-12-23(5-6-23)29(2)22(32)20-15-11-30(7-4-17(15)27-28-20)21(31)19-10-14-16(24)8-13(25)9-18(14)26-19/h8-10,26H,3-7,11-12H2,1-2H3,(H,27,28).

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

5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 473.94 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142576716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).