[3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol

C20H20ClFN4O — CID 146235642

IUPAC[3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol
SMILESC[C@H]1CNCCN1c1nc(CO)cc2nc(-c3ccccc3F)c(Cl)cc12
InChIInChI=1S/C20H20ClFN4O/c1-12-10-23-6-7-26(12)20-15-9-16(21)19(14-4-2-3-5-17(14)22)25-18(15)8-13(11-27)24-20/h2-5,8-9,12,23,27H,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyHPKHKSFYRLQSCL-LBPRGKRZSA-N
MW386.86 g/mol
LogP3.38
Rot. Bonds3

About [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol

[3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol (PubChem CID 146235642) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol
PubChem CID146235642
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name[3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol
SMILESC[C@H]1CNCCN1c1nc(CO)cc2nc(-c3ccccc3F)c(Cl)cc12
InChIInChI=1S/C20H20ClFN4O/c1-12-10-23-6-7-26(12)20-15-9-16(21)19(14-4-2-3-5-17(14)22)25-18(15)8-13(11-27)24-20/h2-5,8-9,12,23,27H,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyHPKHKSFYRLQSCL-LBPRGKRZSA-N
XLogP3.38
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol?
The IUPAC name of [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol (CID 146235642) is [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol.
What is the SMILES notation for [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol?
The canonical SMILES for [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol is C[C@H]1CNCCN1c1nc(CO)cc2nc(-c3ccccc3F)c(Cl)cc12.
What is the InChIKey of [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol?
The InChIKey is HPKHKSFYRLQSCL-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-12-10-23-6-7-26(12)20-15-9-16(21)19(14-4-2-3-5-17(14)22)25-18(15)8-13(11-27)24-20/h2-5,8-9,12,23,27H,6-7,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol?
[3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol has a molecular weight of 386.86 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-fluorophenyl)-5-[(2S)-2-methylpiperazin-1-yl]-1,6-naphthyridin-7-yl]methanol is sourced from PubChem (CID 146235642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).