N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide

C32H32N6O2 — CID 155068423

IUPACN-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide
SMILESO=C(NCCC(C1CCCC1)n1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1)c1ccccc1O
InChIInChI=1S/C32H32N6O2/c39-30-13-7-6-12-26(30)32(40)34-17-15-29(23-10-4-5-11-23)38-21-25(19-36-38)24-14-16-33-27(18-24)31-35-20-28(37-31)22-8-2-1-3-9-22/h1-3,6-9,12-14,16,18-21,23,29,39H,4-5,10-11,15,17H2,(H,34,40)(H,35,37)
InChIKeyWUIRQOHBPJUBPI-UHFFFAOYSA-N
MW532.65 g/mol
LogP6.26
Rot. Bonds9

About N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide

N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide (PubChem CID 155068423) has the molecular formula C32H32N6O2 and a molecular weight of 532.65 g/mol. Its IUPAC name is N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide
PubChem CID155068423
Molecular FormulaC32H32N6O2
Molecular Weight532.65 g/mol
Exact Mass532.26
IUPAC NameN-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide
SMILESO=C(NCCC(C1CCCC1)n1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1)c1ccccc1O
InChIInChI=1S/C32H32N6O2/c39-30-13-7-6-12-26(30)32(40)34-17-15-29(23-10-4-5-11-23)38-21-25(19-36-38)24-14-16-33-27(18-24)31-35-20-28(37-31)22-8-2-1-3-9-22/h1-3,6-9,12-14,16,18-21,23,29,39H,4-5,10-11,15,17H2,(H,34,40)(H,35,37)
InChIKeyWUIRQOHBPJUBPI-UHFFFAOYSA-N
XLogP6.26
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile
CID 129315544
3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 129315830
N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 119620529
ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
CID 129315588
4-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
CID 129315533
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110711165
N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55828845
N-[3-[1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]-2-methylpropyl]-2-hydroxybenzamide
CID 155208780
N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide
CID 171830421
3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 58014480
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide (CID 155068423) is N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide is O=C(NCCC(C1CCCC1)n1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1)c1ccccc1O.
What is the InChIKey of N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide?
The InChIKey is WUIRQOHBPJUBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2/c39-30-13-7-6-12-26(30)32(40)34-17-15-29(23-10-4-5-11-23)38-21-25(19-36-38)24-14-16-33-27(18-24)31-35-20-28(37-31)22-8-2-1-3-9-22/h1-3,6-9,12-14,16,18-21,23,29,39H,4-5,10-11,15,17H2,(H,34,40)(H,35,37).
What are the key properties of N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide?
N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide has a molecular weight of 532.65 g/mol, XLogP of 6.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopentyl-3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propyl]-2-hydroxybenzamide is sourced from PubChem (CID 155068423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).