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

C26H22ClFN4O2 — CID 153292289

IUPAC6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(C)c1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C26H22ClFN4O2/c1-13(2)15-9-10-30-21(14(3)4)23(15)32-25-17(24(33)18(12-29)26(32)34)11-19(27)22(31-25)16-7-5-6-8-20(16)28/h5-11,13-14,33H,1-4H3
InChIKeyYSJUINILVKDIIS-UHFFFAOYSA-N
MW476.94 g/mol
LogP6.06
Rot. Bonds4

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

6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 153292289) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID153292289
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC Name6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(C)c1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C26H22ClFN4O2/c1-13(2)15-9-10-30-21(14(3)4)23(15)32-25-17(24(33)18(12-29)26(32)34)11-19(27)22(31-25)16-7-5-6-8-20(16)28/h5-11,13-14,33H,1-4H3
InChIKeyYSJUINILVKDIIS-UHFFFAOYSA-N
XLogP6.06
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 56.06
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-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 153292289) is 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile is CC(C)c1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is YSJUINILVKDIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c1-13(2)15-9-10-30-21(14(3)4)23(15)32-25-17(24(33)18(12-29)26(32)34)11-19(27)22(31-25)16-7-5-6-8-20(16)28/h5-11,13-14,33H,1-4H3.
What are the key properties of 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 476.94 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 153292289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).