6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile

C24H18ClFN4O2 — CID 151952986

IUPAC6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C24H18ClFN4O2/c1-12(2)19-21(13(3)8-9-28-19)30-23-15(22(31)16(11-27)24(30)32)10-17(25)20(29-23)14-6-4-5-7-18(14)26/h4-10,12,31H,1-3H3
InChIKeyTXBAXPZOBQBFOS-UHFFFAOYSA-N
MW448.89 g/mol
LogP5.25
Rot. Bonds3

About 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile

6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 151952986) has the molecular formula C24H18ClFN4O2 and a molecular weight of 448.89 g/mol. Its IUPAC name is 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID151952986
Molecular FormulaC24H18ClFN4O2
Molecular Weight448.89 g/mol
Exact Mass448.11
IUPAC Name6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C24H18ClFN4O2/c1-12(2)19-21(13(3)8-9-28-19)30-23-15(22(31)16(11-27)24(30)32)10-17(25)20(29-23)14-6-4-5-7-18(14)26/h4-10,12,31H,1-3H3
InChIKeyTXBAXPZOBQBFOS-UHFFFAOYSA-N
XLogP5.25
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.89
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 140956840
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 146235786
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235944
6-Chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 152795064
Dupert
CID 156732294
7-Chloro-6-(3,6-difluoro-2-hydroxyphenyl)-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]-4-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-b]pyrazine-2,3-dione
CID 163236215
8-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[4,3-d]pyrimidin-2-one
CID 162665906
4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 138461122
(M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 138461128
(M)-6-Chloro-7-(4,5-difluoro-2-hydroxy-phenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoyl-piperazin-1-yl]-1-(2-isopropyl-4-methyl-3-pyridyl)pyrido[2,3-d]pyrimidin-2-one
CID 153292622
(M)-2-[4-[6-Chloro-7-(2-fluoro-6-hydroxy-phenyl)-1-(2-isopropyl-4-methyl-3-pyridyl)-2-oxo-pyrido[2,3-d]pyrimidin-4-yl]-1-prop-2-enoyl-piperazin-2-yl]acetonitrile
CID 153292698
6-Chloro-1-(2,4-diisopropyl-3-pyridyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoyl-piperazin-1-yl]-7-(2-fluoro-6-hydroxy-phenyl)pyrido[2,3-d]pyrimidin-2-one
CID 153292711

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 151952986) is 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile is Cc1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is TXBAXPZOBQBFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O2/c1-12(2)19-21(13(3)8-9-28-19)30-23-15(22(31)16(11-27)24(30)32)10-17(25)20(29-23)14-6-4-5-7-18(14)26/h4-10,12,31H,1-3H3.
What are the key properties of 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 448.89 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-fluorophenyl)-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 151952986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).