3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one

C23H15ClFN5O — CID 146662112

IUPAC3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
SMILESCn1cccc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)c1=O
InChIInChI=1S/C23H15ClFN5O/c1-30-8-2-3-15(23(30)31)13-9-21-20(26-11-13)7-6-19(28-21)17-12-27-29-22(17)16-10-14(24)4-5-18(16)25/h2-12H,1H3,(H,27,29)
InChIKeyKBLKPUDKAIADKC-UHFFFAOYSA-N
MW431.86 g/mol
LogP4.85
Rot. Bonds3

About 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one

3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one (PubChem CID 146662112) has the molecular formula C23H15ClFN5O and a molecular weight of 431.86 g/mol. Its IUPAC name is 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
PubChem CID146662112
Molecular FormulaC23H15ClFN5O
Molecular Weight431.86 g/mol
Exact Mass431.09
IUPAC Name3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
SMILESCn1cccc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)c1=O
InChIInChI=1S/C23H15ClFN5O/c1-30-8-2-3-15(23(30)31)13-9-21-20(26-11-13)7-6-19(28-21)17-12-27-29-22(17)16-10-14(24)4-5-18(16)25/h2-12H,1H3,(H,27,29)
InChIKeyKBLKPUDKAIADKC-UHFFFAOYSA-N
XLogP4.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one (CID 146662112) is 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one is Cn1cccc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)c1=O.
What is the InChIKey of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
The InChIKey is KBLKPUDKAIADKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5O/c1-30-8-2-3-15(23(30)31)13-9-21-20(26-11-13)7-6-19(28-21)17-12-27-29-22(17)16-10-14(24)4-5-18(16)25/h2-12H,1H3,(H,27,29).
What are the key properties of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one has a molecular weight of 431.86 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 146662112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).