(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C26H33FN6O — CID 162439898

IUPAC(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCNCC5)ccc4F)cc3n2)CC1
InChIInChI=1S/C26H33FN6O/c1-26(34,19-7-11-32(2)12-8-19)24-6-3-18-17-29-25(16-22(18)30-24)31-23-15-20(4-5-21(23)27)33-13-9-28-10-14-33/h3-6,15-17,19,28,34H,7-14H2,1-2H3,(H,29,31)/t26-/m1/s1
InChIKeyPSAGQTZIQYGESA-AREMUKBSSA-N
MW464.59 g/mol
LogP3.47
Rot. Bonds5

About (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 162439898) has the molecular formula C26H33FN6O and a molecular weight of 464.59 g/mol. Its IUPAC name is (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID162439898
Molecular FormulaC26H33FN6O
Molecular Weight464.59 g/mol
Exact Mass464.27
IUPAC Name(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCNCC5)ccc4F)cc3n2)CC1
InChIInChI=1S/C26H33FN6O/c1-26(34,19-7-11-32(2)12-8-19)24-6-3-18-17-29-25(16-22(18)30-24)31-23-15-20(4-5-21(23)27)33-13-9-28-10-14-33/h3-6,15-17,19,28,34H,7-14H2,1-2H3,(H,29,31)/t26-/m1/s1
InChIKeyPSAGQTZIQYGESA-AREMUKBSSA-N
XLogP3.47
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
CID 166940507
N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine
CID 166940435
(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide
CID 166940299
4-N-ethenyl-2-fluoro-4-N-(methylideneamino)-1-N-[2-[1-(1-methylpiperidin-4-yl)ethenyl]-1,6-naphthyridin-7-yl]benzene-1,4-diamine
CID 156719511
3-tert-butyl-6-piperazin-1-ylisoquinoline
CID 155245181
1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
CID 166940512
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
CID 67102042
2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
CID 146276335
N-(3-amino-1-methylpiperidin-4-yl)-N-[7-(2-fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-yl]thiohydroxylamine
CID 166940492
tert-butyl 3-[3-fluoro-4-[[2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperidine-1-carboxylate
CID 166940437
N-(4-piperazin-1-yl-2-pyridinyl)-1,6-naphthyridin-2-amine
CID 171795758
1-(3,4-difluorophenyl)piperazine
CID 2783122

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 162439898) is (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCNCC5)ccc4F)cc3n2)CC1.
What is the InChIKey of (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is PSAGQTZIQYGESA-AREMUKBSSA-N. The full InChI is InChI=1S/C26H33FN6O/c1-26(34,19-7-11-32(2)12-8-19)24-6-3-18-17-29-25(16-22(18)30-24)31-23-15-20(4-5-21(23)27)33-13-9-28-10-14-33/h3-6,15-17,19,28,34H,7-14H2,1-2H3,(H,29,31)/t26-/m1/s1.
What are the key properties of (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 464.59 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 162439898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).