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

C22H22F3N5O3 — CID 142576973

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

N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142576973) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 142576973
• Molecular Formula: C22H22F3N5O3
• Molecular Weight: 461.44 g/mol
• Exact Mass: 461.17
• IUPAC Name: N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CN(C(=O)c1n[nH]c2c1CN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2)C1(COC(F)F)CC1
• InChI: InChI=1S/C22H22F3N5O3/c1-29(22(5-6-22)11-33-21(24)25)20(32)18-14-10-30(7-4-16(14)27-28-18)19(31)17-9-12-8-13(23)2-3-15(12)26-17/h2-3,8-9,21,26H,4-7,10-11H2,1H3,(H,27,28)
• InChIKey: PBBNWERVJSJXMF-UHFFFAOYSA-N
• XLogP: 3.07
• 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	461.44
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 142576973) is N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-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-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C(=O)c1n[nH]c2c1CN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2)C1(COC(F)F)CC1.

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

The InChIKey is PBBNWERVJSJXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-29(22(5-6-22)11-33-21(24)25)20(32)18-14-10-30(7-4-16(14)27-28-18)19(31)17-9-12-8-13(23)2-3-15(12)26-17/h2-3,8-9,21,26H,4-7,10-11H2,1H3,(H,27,28).

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

N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142576973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).