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

C24H28FN5O3 — CID 93071496

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

(3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 93071496) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
• PubChem CID: 93071496
• Molecular Formula: C24H28FN5O3
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.22
• IUPAC Name: (3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
• SMILES: Cn1nc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c2c1CCN(C(=O)c1cccc(F)c1)C2
• InChI: InChI=1S/C24H28FN5O3/c1-28-20-9-11-30(23(32)15-4-2-6-17(25)12-15)14-19(20)21(27-28)24(33)29-10-3-5-16(13-29)22(31)26-18-7-8-18/h2,4,6,12,16,18H,3,5,7-11,13-14H2,1H3,(H,26,31)/t16-/m0/s1
• InChIKey: WGOPGKLMHQWQST-INIZCTEOSA-N
• XLogP: 1.89
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (CID 93071496) is (3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is Cn1nc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c2c1CCN(C(=O)c1cccc(F)c1)C2.

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

The InChIKey is WGOPGKLMHQWQST-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-28-20-9-11-30(23(32)15-4-2-6-17(25)12-15)14-19(20)21(27-28)24(33)29-10-3-5-16(13-29)22(31)26-18-7-8-18/h2,4,6,12,16,18H,3,5,7-11,13-14H2,1H3,(H,26,31)/t16-/m0/s1.

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

(3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 93071496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).