[3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol

C28H28ClFN4O — CID 146235247

IUPAC[3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol
SMILESCC(C)c1ccccc1-c1c(CO)nc(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc12
InChIInChI=1S/C28H28ClFN4O/c1-17(2)18-7-3-4-8-19(18)25-24(16-35)32-28(34-13-11-31-12-14-34)21-15-22(29)26(33-27(21)25)20-9-5-6-10-23(20)30/h3-10,15,17,31,35H,11-14,16H2,1-2H3
InChIKeyRGPBLAXAMCCLFW-UHFFFAOYSA-N
MW491.01 g/mol
LogP5.78
Rot. Bonds5

About [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol

[3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol (PubChem CID 146235247) has the molecular formula C28H28ClFN4O and a molecular weight of 491.01 g/mol. Its IUPAC name is [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol
PubChem CID146235247
Molecular FormulaC28H28ClFN4O
Molecular Weight491.01 g/mol
Exact Mass490.19
IUPAC Name[3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol
SMILESCC(C)c1ccccc1-c1c(CO)nc(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc12
InChIInChI=1S/C28H28ClFN4O/c1-17(2)18-7-3-4-8-19(18)25-24(16-35)32-28(34-13-11-31-12-14-34)21-15-22(29)26(33-27(21)25)20-9-5-6-10-23(20)30/h3-10,15,17,31,35H,11-14,16H2,1-2H3
InChIKeyRGPBLAXAMCCLFW-UHFFFAOYSA-N
XLogP5.78
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 55.78
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-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
The IUPAC name of [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol (CID 146235247) is [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol.
What is the SMILES notation for [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
The canonical SMILES for [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol is CC(C)c1ccccc1-c1c(CO)nc(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc12.
What is the InChIKey of [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
The InChIKey is RGPBLAXAMCCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN4O/c1-17(2)18-7-3-4-8-19(18)25-24(16-35)32-28(34-13-11-31-12-14-34)21-15-22(29)26(33-27(21)25)20-9-5-6-10-23(20)30/h3-10,15,17,31,35H,11-14,16H2,1-2H3.
What are the key properties of [3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
[3-chloro-2-(2-fluorophenyl)-5-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol has a molecular weight of 491.01 g/mol, XLogP of 5.78, 5 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-piperazin-1-yl-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol is sourced from PubChem (CID 146235247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).