2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol

C26H29FN6O2 — CID 162439811

IUPAC2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Cc2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1
InChIInChI=1S/C26H29FN6O2/c27-23-14-22(33-10-7-21(17-35)31-33)3-4-24(23)30-26-15-25-19(16-28-26)1-2-20(29-25)13-18-5-8-32(9-6-18)11-12-34/h1-4,7,10,14-16,18,34-35H,5-6,8-9,11-13,17H2,(H,28,30)
InChIKeyLVKGIKDLCCYQOM-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.44
Rot. Bonds8

About 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol

2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol (PubChem CID 162439811) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol
PubChem CID162439811
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Cc2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1
InChIInChI=1S/C26H29FN6O2/c27-23-14-22(33-10-7-21(17-35)31-33)3-4-24(23)30-26-15-25-19(16-28-26)1-2-20(29-25)13-18-5-8-32(9-6-18)11-12-34/h1-4,7,10,14-16,18,34-35H,5-6,8-9,11-13,17H2,(H,28,30)
InChIKeyLVKGIKDLCCYQOM-UHFFFAOYSA-N
XLogP3.44
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1-ethylpiperidin-4-yl)-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]amino]acetaldehyde
CID 162439741
tert-butyl 4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methylsulfonyl]piperidine-1-carboxylate;1,4-dioxane
CID 166514003
N-(3-amino-1-methylpiperidin-4-yl)-N-[7-(2-fluoro-4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-yl]thiohydroxylamine
CID 166940492
2-(2,6-dimethyl-1-oxa-6-azaspiro[2.5]octan-2-yl)-N-(2-fluoro-4-pyrazol-1-ylphenyl)-1,6-naphthyridin-7-amine
CID 162439736
3-amino-N-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]-N'-methylbut-2-enimidamide
CID 174028414
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
2-[4-(2-fluoro-4-pyrazol-1-ylanilino)cyclohexyl]sulfanyl-1,6-naphthyridin-7-amine
CID 156719464
2,2,2-trifluoro-1-[3-[2-[2-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]purin-9-yl]pyrrolidin-1-yl]ethanone
CID 122631391
(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439898
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-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine
CID 166940435
1-[4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone;ethane
CID 142375217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol (CID 162439811) is 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol is OCCN1CCC(Cc2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1.
What is the InChIKey of 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol?
The InChIKey is LVKGIKDLCCYQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c27-23-14-22(33-10-7-21(17-35)31-33)3-4-24(23)30-26-15-25-19(16-28-26)1-2-20(29-25)13-18-5-8-32(9-6-18)11-12-34/h1-4,7,10,14-16,18,34-35H,5-6,8-9,11-13,17H2,(H,28,30).
What are the key properties of 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol?
2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol has a molecular weight of 476.56 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 162439811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).