1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone

C29H29FN4O3 — CID 158832739

IUPAC1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc(-c2cnn(CCN3CCOCC3)c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C29H29FN4O3/c30-26-6-3-22(4-7-26)21-37-29-8-5-24(17-27(29)28(35)16-23-2-1-9-31-18-23)25-19-32-34(20-25)11-10-33-12-14-36-15-13-33/h1-9,17-20H,10-16,21H2
InChIKeyIXGFLWLPJICCGF-UHFFFAOYSA-N
MW500.57 g/mol
LogP4.42
Rot. Bonds10

About 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone

1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone (PubChem CID 158832739) has the molecular formula C29H29FN4O3 and a molecular weight of 500.57 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
PubChem CID158832739
Molecular FormulaC29H29FN4O3
Molecular Weight500.57 g/mol
Exact Mass500.22
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc(-c2cnn(CCN3CCOCC3)c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C29H29FN4O3/c30-26-6-3-22(4-7-26)21-37-29-8-5-24(17-27(29)28(35)16-23-2-1-9-31-18-23)25-19-32-34(20-25)11-10-33-12-14-36-15-13-33/h1-9,17-20H,10-16,21H2
InChIKeyIXGFLWLPJICCGF-UHFFFAOYSA-N
XLogP4.42
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid
CID 67106893
1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone
CID 147848171
1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone
CID 159065235
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
CID 157130590
N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
CID 146940797
4-[3-(4-pyridin-3-ylpyrazol-1-yl)propyl]morpholine
CID 141300555
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone (CID 158832739) is 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1cc(-c2cnn(CCN3CCOCC3)c2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone?
The InChIKey is IXGFLWLPJICCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O3/c30-26-6-3-22(4-7-26)21-37-29-8-5-24(17-27(29)28(35)16-23-2-1-9-31-18-23)25-19-32-34(20-25)11-10-33-12-14-36-15-13-33/h1-9,17-20H,10-16,21H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone?
1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone has a molecular weight of 500.57 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 158832739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).