methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate

C23H25N5O4 — CID 142576954

About methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate

methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 142576954) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate
• PubChem CID: 142576954
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate
• SMILES: COC(=O)C1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2cc4ccccc4[nH]2)CC3)CC1
• InChI: InChI=1S/C23H25N5O4/c1-32-23(31)14-6-9-27(10-7-14)22(30)20-16-13-28(11-8-18(16)25-26-20)21(29)19-12-15-4-2-3-5-17(15)24-19/h2-5,12,14,24H,6-11,13H2,1H3,(H,25,26)
• InChIKey: VZFVFRKATNZBHR-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 111.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate?

The IUPAC name of methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate (CID 142576954) is methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate.

What is the SMILES notation for methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate?

The canonical SMILES for methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2cc4ccccc4[nH]2)CC3)CC1.

What is the InChIKey of methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate?

The InChIKey is VZFVFRKATNZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-32-23(31)14-6-9-27(10-7-14)22(30)20-16-13-28(11-8-18(16)25-26-20)21(29)19-12-15-4-2-3-5-17(15)24-19/h2-5,12,14,24H,6-11,13H2,1H3,(H,25,26).

What are the key properties of methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate?

methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 142576954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).