3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide

C25H20F2N4O3 — CID 175135041

IUPAC3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
SMILESO=Cc1cc(-c2cc(-c3c(F)cccc3C(=O)NC(CO)Cc3ccccn3)[nH]n2)ccc1F
InChIInChI=1S/C25H20F2N4O3/c26-20-8-7-15(10-16(20)13-32)22-12-23(31-30-22)24-19(5-3-6-21(24)27)25(34)29-18(14-33)11-17-4-1-2-9-28-17/h1-10,12-13,18,33H,11,14H2,(H,29,34)(H,30,31)
InChIKeySKBWVQQSOKORAW-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.56
Rot. Bonds8

About 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide

3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide (PubChem CID 175135041) has the molecular formula C25H20F2N4O3 and a molecular weight of 462.46 g/mol. Its IUPAC name is 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
PubChem CID175135041
Molecular FormulaC25H20F2N4O3
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
SMILESO=Cc1cc(-c2cc(-c3c(F)cccc3C(=O)NC(CO)Cc3ccccn3)[nH]n2)ccc1F
InChIInChI=1S/C25H20F2N4O3/c26-20-8-7-15(10-16(20)13-32)22-12-23(31-30-22)24-19(5-3-6-21(24)27)25(34)29-18(14-33)11-17-4-1-2-9-28-17/h1-10,12-13,18,33H,11,14H2,(H,29,34)(H,30,31)
InChIKeySKBWVQQSOKORAW-UHFFFAOYSA-N
XLogP3.56
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(hydroxymethyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 135138289
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(4-hydroxy-1-pyridin-2-ylbutan-2-yl)benzamide
CID 135138691
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-4-hydroxy-1-pyridin-2-ylbutan-2-yl]benzamide
CID 135137981
N-[(2S,4S)-4,5-dihydroxy-1-pyridin-2-ylpentan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138722
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-3-(trifluoromethoxy)benzamide
CID 135138442
N-[(2S,3S)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138104
N-[(2R,3R)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138633
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide
CID 135132968
methyl (2R)-2-[[2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluorobenzoyl]amino]-3-pyridin-2-ylpropanoate
CID 140879462
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide
CID 134608074
2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 135137947
N-[(2R)-3-ethoxy-4-hydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 145217560

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide (CID 175135041) is 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide is O=Cc1cc(-c2cc(-c3c(F)cccc3C(=O)NC(CO)Cc3ccccn3)[nH]n2)ccc1F.
What is the InChIKey of 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide?
The InChIKey is SKBWVQQSOKORAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3/c26-20-8-7-15(10-16(20)13-32)22-12-23(31-30-22)24-19(5-3-6-21(24)27)25(34)29-18(14-33)11-17-4-1-2-9-28-17/h1-10,12-13,18,33H,11,14H2,(H,29,34)(H,30,31).
What are the key properties of 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide?
3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide has a molecular weight of 462.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 175135041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).