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

C18H14ClFN4O — CID 156785247

IUPAC4-chloro-6-fluoro-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(Cl)c2cc(F)cnc21
InChIInChI=1S/C18H14ClFN4O/c1-9(2)15-16(10(3)4-5-22-15)24-17-12(6-11(20)8-23-17)14(19)13(7-21)18(24)25/h4-6,8-9H,1-3H3
InChIKeyWVXCPNLEZIVYOM-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.88
Rot. Bonds2

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

4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 156785247) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID156785247
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name4-chloro-6-fluoro-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(Cl)c2cc(F)cnc21
InChIInChI=1S/C18H14ClFN4O/c1-9(2)15-16(10(3)4-5-22-15)24-17-12(6-11(20)8-23-17)14(19)13(7-21)18(24)25/h4-6,8-9H,1-3H3
InChIKeyWVXCPNLEZIVYOM-UHFFFAOYSA-N
XLogP3.88
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-7-(2,3-dichloro-4,5-difluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 158996149
(2R)-4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]-2-methylpiperazine-1-carboxylic acid
CID 166747072
4-[6,7-dichloro-3-cyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]-2-methylpiperazine-1-carboxylic acid
CID 166747074
7-(5-amino-2,3-dichloro-4,6-difluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 158044064
tert-butyl (3S)-4-[7-chloro-3-cyano-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]-3-methylpiperazine-1-carboxylate
CID 156768605
7-(3-amino-5-chloro-2,4,6-trifluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 163859316
6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 150553078
bis(6-chloro-7-(2,3-dichloro-4,5-difluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);6-chloro-7-(2,5-dichloro-3,4-difluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 158996148
4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one
CID 167318289
bis(7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);7-(5-amino-2,3-dichloro-4,6-difluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 159071500
6-chloro-7-(2,3-dichloro-4,5-difluoro-6-hydroxyphenyl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 158592450
6-chloro-7-(3-chloro-2,4,5-trifluoro-6-hydroxyphenyl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 158588050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 156785247) is 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-6-fluoro-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(Cl)c2cc(F)cnc21.
What is the InChIKey of 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is WVXCPNLEZIVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-9(2)15-16(10(3)4-5-22-15)24-17-12(6-11(20)8-23-17)14(19)13(7-21)18(24)25/h4-6,8-9H,1-3H3.
What are the key properties of 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 356.79 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 156785247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).