1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile

C23H20FN3O2 — CID 25003299

IUPAC1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Oc2ccc(-c3ccn(CCC4CC4)c(=O)c3C#N)c(F)c2)ccn1
InChIInChI=1S/C23H20FN3O2/c1-15-12-18(6-9-26-15)29-17-4-5-20(22(24)13-17)19-8-11-27(10-7-16-2-3-16)23(28)21(19)14-25/h4-6,8-9,11-13,16H,2-3,7,10H2,1H3
InChIKeyLZXJZLHRQYDXSK-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.82
Rot. Bonds6

About 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile

1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile (PubChem CID 25003299) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
PubChem CID25003299
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Oc2ccc(-c3ccn(CCC4CC4)c(=O)c3C#N)c(F)c2)ccn1
InChIInChI=1S/C23H20FN3O2/c1-15-12-18(6-9-26-15)29-17-4-5-20(22(24)13-17)19-8-11-27(10-7-16-2-3-16)23(28)21(19)14-25/h4-6,8-9,11-13,16H,2-3,7,10H2,1H3
InChIKeyLZXJZLHRQYDXSK-UHFFFAOYSA-N
XLogP4.82
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 70694131
1-(2-cyclopropylethyl)-4-[4-(oxan-4-ylamino)-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carbonitrile
CID 25004354
1-butyl-4-[4-[(3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxopyridine-3-carbonitrile
CID 25003652
4-[3-chloro-4-(oxan-4-ylamino)phenyl]-1-(2-cyclopropylethyl)-2-oxopyridine-3-carbonitrile
CID 25004353
1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one
CID 130485291
3-fluoro-5-[[(2S)-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-yl]oxymethyl]-2-[(2-methyl-4-pyridinyl)oxy]benzonitrile
CID 118679562
3-fluoro-2-[(2-methyl-4-pyridinyl)oxy]-5-[(1,2,2-trimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 118679552
6-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451951
7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 145003519
5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339053
1-[3-tert-butyl-1-[4-(2-piperidin-4-ylethoxy)phenyl]pyrazol-5-yl]-1-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 67022358
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile (CID 25003299) is 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile is Cc1cc(Oc2ccc(-c3ccn(CCC4CC4)c(=O)c3C#N)c(F)c2)ccn1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is LZXJZLHRQYDXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15-12-18(6-9-26-15)29-17-4-5-20(22(24)13-17)19-8-11-27(10-7-16-2-3-16)23(28)21(19)14-25/h4-6,8-9,11-13,16H,2-3,7,10H2,1H3.
What are the key properties of 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 389.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 25003299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).