N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C17H21FN4O — CID 75520895

IUPACN-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCCNc1cccc(F)c1)c1cnn2c1CCCC2
InChIInChI=1S/C17H21FN4O/c18-13-5-3-6-14(11-13)19-8-4-9-20-17(23)15-12-21-22-10-2-1-7-16(15)22/h3,5-6,11-12,19H,1-2,4,7-10H2,(H,20,23)
InChIKeyZRKZZOVJMHOPPT-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.59
Rot. Bonds6

About N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 75520895) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID75520895
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCCNc1cccc(F)c1)c1cnn2c1CCCC2
InChIInChI=1S/C17H21FN4O/c18-13-5-3-6-14(11-13)19-8-4-9-20-17(23)15-12-21-22-10-2-1-7-16(15)22/h3,5-6,11-12,19H,1-2,4,7-10H2,(H,20,23)
InChIKeyZRKZZOVJMHOPPT-UHFFFAOYSA-N
XLogP2.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 75520895) is N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCCCNc1cccc(F)c1)c1cnn2c1CCCC2.
What is the InChIKey of N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZRKZZOVJMHOPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-13-5-3-6-14(11-13)19-8-4-9-20-17(23)15-12-21-22-10-2-1-7-16(15)22/h3,5-6,11-12,19H,1-2,4,7-10H2,(H,20,23).
What are the key properties of N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 75520895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).