[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone

C26H24FN5O — CID 163894657

IUPAC[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone
SMILESCN(Cc1ccccn1)C1CN(C(=O)c2cc(Cc3nncc4ccccc34)ccc2F)C1
InChIInChI=1S/C26H24FN5O/c1-31(15-20-7-4-5-11-28-20)21-16-32(17-21)26(33)23-12-18(9-10-24(23)27)13-25-22-8-3-2-6-19(22)14-29-30-25/h2-12,14,21H,13,15-17H2,1H3
InChIKeyQEOGIKZUAOWPEH-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.71
Rot. Bonds6

About [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone

[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone (PubChem CID 163894657) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone
PubChem CID163894657
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC Name[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone
SMILESCN(Cc1ccccn1)C1CN(C(=O)c2cc(Cc3nncc4ccccc34)ccc2F)C1
InChIInChI=1S/C26H24FN5O/c1-31(15-20-7-4-5-11-28-20)21-16-32(17-21)26(33)23-12-18(9-10-24(23)27)13-25-22-8-3-2-6-19(22)14-29-30-25/h2-12,14,21H,13,15-17H2,1H3
InChIKeyQEOGIKZUAOWPEH-UHFFFAOYSA-N
XLogP3.71
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone with MolForge

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Related Compounds

[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[(3S)-3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 175329938
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-(1-hydroxypropan-2-ylamino)azetidin-1-yl]methanone
CID 175835453
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone
CID 174969691
[3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone
CID 174969699
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[[1-(trifluoromethyl)cyclobutyl]amino]azetidin-1-yl]methanone
CID 163575590
4-[[4-fluoro-3-[(3R)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 122441444
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
4-[[4-fluoro-3-[2-[(6-methyl-2-pyridinyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 126699570
4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 76683769
(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 78899109
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
[4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazin-1-yl]-[5-(phthalazin-1-ylmethyl)-2-(trifluoromethyl)phenyl]methanone
CID 154005567

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone?
The IUPAC name of [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone (CID 163894657) is [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone.
What is the SMILES notation for [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone?
The canonical SMILES for [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone is CN(Cc1ccccn1)C1CN(C(=O)c2cc(Cc3nncc4ccccc34)ccc2F)C1.
What is the InChIKey of [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone?
The InChIKey is QEOGIKZUAOWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-31(15-20-7-4-5-11-28-20)21-16-32(17-21)26(33)23-12-18(9-10-24(23)27)13-25-22-8-3-2-6-19(22)14-29-30-25/h2-12,14,21H,13,15-17H2,1H3.
What are the key properties of [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone?
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone has a molecular weight of 441.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone is sourced from PubChem (CID 163894657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).