N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide

C22H27N5O3S — CID 53018181

About N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 53018181) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
• PubChem CID: 53018181
• Molecular Formula: C22H27N5O3S
• Molecular Weight: 441.56 g/mol
• Exact Mass: 441.18
• IUPAC Name: N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
• SMILES: Cn1nc(C(=O)N2CCCC(C(=O)NC3CC3)C2)c2c1CCN(C(=O)c1cccs1)C2
• InChI: InChI=1S/C22H27N5O3S/c1-25-17-8-10-27(21(29)18-5-3-11-31-18)13-16(17)19(24-25)22(30)26-9-2-4-14(12-26)20(28)23-15-6-7-15/h3,5,11,14-15H,2,4,6-10,12-13H2,1H3,(H,23,28)
• InChIKey: PDBQFMJMRCNHIV-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.56
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (CID 53018181) is N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is Cn1nc(C(=O)N2CCCC(C(=O)NC3CC3)C2)c2c1CCN(C(=O)c1cccs1)C2.

What is the InChIKey of N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?

The InChIKey is PDBQFMJMRCNHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-25-17-8-10-27(21(29)18-5-3-11-31-18)13-16(17)19(24-25)22(30)26-9-2-4-14(12-26)20(28)23-15-6-7-15/h3,5,11,14-15H,2,4,6-10,12-13H2,1H3,(H,23,28).

What are the key properties of N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?

N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 53018181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).