5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide

C24H20FN5O2 — CID 141454930

IUPAC5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2Cc3c(C(N)=O)c(-c4cccc(F)c4)nn3C3(CC3)C2)cc1
InChIInChI=1S/C24H20FN5O2/c25-17-3-1-2-15(10-17)21-20(22(27)31)19-11-16(12-24(8-9-24)30(19)29-21)23(32)28-18-6-4-14(13-26)5-7-18/h1-7,10,16H,8-9,11-12H2,(H2,27,31)(H,28,32)
InChIKeySXFKORCZIDFCCL-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.35
Rot. Bonds4

About 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide

5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide (PubChem CID 141454930) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide
PubChem CID141454930
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2Cc3c(C(N)=O)c(-c4cccc(F)c4)nn3C3(CC3)C2)cc1
InChIInChI=1S/C24H20FN5O2/c25-17-3-1-2-15(10-17)21-20(22(27)31)19-11-16(12-24(8-9-24)30(19)29-21)23(32)28-18-6-4-14(13-26)5-7-18/h1-7,10,16H,8-9,11-12H2,(H2,27,31)(H,28,32)
InChIKeySXFKORCZIDFCCL-UHFFFAOYSA-N
XLogP3.35
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-acetyl-2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,3'-azetidine]-3,5-dicarboxamide
CID 118085543
2-(3-chlorophenyl)-5-cyanospiro[4,6-dihydropyrazolo[1,5-a][1,4]azaborinine-7,1'-cyclopropane]-3-carboxamide
CID 144845369
5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 144845027
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
(2R,6S)-11-(3-chlorophenyl)-7-N-(4-cyanophenyl)-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-7,10-dicarboxamide
CID 118085407
2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061928
N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404023
N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
CID 155419803
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-6-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639736
2-(3-fluorophenyl)-5-N-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062371
5-N-(1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069155
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide (CID 141454930) is 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide is N#Cc1ccc(NC(=O)C2Cc3c(C(N)=O)c(-c4cccc(F)c4)nn3C3(CC3)C2)cc1.
What is the InChIKey of 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide?
The InChIKey is SXFKORCZIDFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-17-3-1-2-15(10-17)21-20(22(27)31)19-11-16(12-24(8-9-24)30(19)29-21)23(32)28-18-6-4-14(13-26)5-7-18/h1-7,10,16H,8-9,11-12H2,(H2,27,31)(H,28,32).
What are the key properties of 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide?
5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide has a molecular weight of 429.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide is sourced from PubChem (CID 141454930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).