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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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).