5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C23H23FN4O2 — CID 91904635

IUPAC5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C23H23FN4O2/c24-19-11-5-4-10-17(19)23(30)28-14-12-20-18(15-28)21(27-26-20)22(29)25-13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12-15H2,(H,25,29)(H,26,27)
InChIKeyFESFOUHFLQRSKI-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.11
Rot. Bonds6

About 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91904635) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91904635
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C23H23FN4O2/c24-19-11-5-4-10-17(19)23(30)28-14-12-20-18(15-28)21(27-26-20)22(29)25-13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12-15H2,(H,25,29)(H,26,27)
InChIKeyFESFOUHFLQRSKI-UHFFFAOYSA-N
XLogP3.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91904635) is 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCCCc1ccccc1)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FESFOUHFLQRSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-19-11-5-4-10-17(19)23(30)28-14-12-20-18(15-28)21(27-26-20)22(29)25-13-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12-15H2,(H,25,29)(H,26,27).
What are the key properties of 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91904635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).