methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

C19H12ClFN4O2 — CID 146662157

IUPACmethyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C19H12ClFN4O2/c1-27-19(26)10-6-17-16(22-8-10)5-4-15(24-17)13-9-23-25-18(13)12-7-11(20)2-3-14(12)21/h2-9H,1H3,(H,23,25)
InChIKeyXQEZOOOOIZKBGW-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.27
Rot. Bonds3

About methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (PubChem CID 146662157) has the molecular formula C19H12ClFN4O2 and a molecular weight of 382.78 g/mol. Its IUPAC name is methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
PubChem CID146662157
Molecular FormulaC19H12ClFN4O2
Molecular Weight382.78 g/mol
Exact Mass382.06
IUPAC Namemethyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C19H12ClFN4O2/c1-27-19(26)10-6-17-16(22-8-10)5-4-15(24-17)13-9-23-25-18(13)12-7-11(20)2-3-14(12)21/h2-9H,1H3,(H,23,25)
InChIKeyXQEZOOOOIZKBGW-UHFFFAOYSA-N
XLogP4.27
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (CID 146662157) is methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)ccc3F)nc2c1.
What is the InChIKey of methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The InChIKey is XQEZOOOOIZKBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2/c1-27-19(26)10-6-17-16(22-8-10)5-4-15(24-17)13-9-23-25-18(13)12-7-11(20)2-3-14(12)21/h2-9H,1H3,(H,23,25).
What are the key properties of methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 382.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 146662157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).