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

C25H31N5O3 — CID 142576935

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

N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142576935) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 142576935
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1cccc2cc(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(COC(C)C)CC5)c4C3)[nH]c12
• InChI: InChI=1S/C25H31N5O3/c1-15(2)33-14-25(9-10-25)29(4)24(32)22-18-13-30(11-8-19(18)27-28-22)23(31)20-12-17-7-5-6-16(3)21(17)26-20/h5-7,12,15,26H,8-11,13-14H2,1-4H3,(H,27,28)
• InChIKey: NSJNGSURBVMNHD-UHFFFAOYSA-N
• XLogP: 3.43
• 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	449.56
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 142576935) is N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc2cc(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(COC(C)C)CC5)c4C3)[nH]c12.

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

The InChIKey is NSJNGSURBVMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15(2)33-14-25(9-10-25)29(4)24(32)22-18-13-30(11-8-19(18)27-28-22)23(31)20-12-17-7-5-6-16(3)21(17)26-20/h5-7,12,15,26H,8-11,13-14H2,1-4H3,(H,27,28).

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

N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142576935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).