4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile

C31H24FN7 — CID 177349719

IUPAC4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CC3(CN(Cc4ccc(-c5nc6cc(F)cnc6cc5-c5ccccc5)cc4)C3)C2)n1
InChIInChI=1S/C31H24FN7/c32-24-12-27-26(35-15-24)13-25(22-4-2-1-3-5-22)30(36-27)23-8-6-21(7-9-23)16-38-17-31(18-38)19-39(20-31)29-10-11-34-28(14-33)37-29/h1-13,15H,16-20H2
InChIKeyGWHPQMTVKHEYMU-UHFFFAOYSA-N
MW513.58 g/mol
LogP5.09
Rot. Bonds5

About 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile

4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile (PubChem CID 177349719) has the molecular formula C31H24FN7 and a molecular weight of 513.58 g/mol. Its IUPAC name is 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile
PubChem CID177349719
Molecular FormulaC31H24FN7
Molecular Weight513.58 g/mol
Exact Mass513.21
IUPAC Name4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CC3(CN(Cc4ccc(-c5nc6cc(F)cnc6cc5-c5ccccc5)cc4)C3)C2)n1
InChIInChI=1S/C31H24FN7/c32-24-12-27-26(35-15-24)13-25(22-4-2-1-3-5-22)30(36-27)23-8-6-21(7-9-23)16-38-17-31(18-38)19-39(20-31)29-10-11-34-28(14-33)37-29/h1-13,15H,16-20H2
InChIKeyGWHPQMTVKHEYMU-UHFFFAOYSA-N
XLogP5.09
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.58
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile with MolForge

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Related Compounds

4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 177349520
4-[4-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-1,4-diazepan-1-yl]pyrimidine-2-carbonitrile
CID 177349912
4-[(5R)-7-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]pyrimidine-2-carbonitrile
CID 177316321
6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide
CID 177349514
4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile
CID 177316757
4-[[1-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-(trihydroxymethyl)amino]pyrimidine-2-carbonitrile
CID 177349424
4-[4-[[4-[3-[4-[7-phenyl-6-[4-[(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]-5,6,7,8-tetrahydroquinolin-2-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 178031780
4-[6-[[4-[2-(2-amino-3-pyridinyl)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile
CID 171495954
7-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-6-phenyl-1,8-naphthyridine-3-carboxylic acid
CID 177349353
7-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 177349753
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392
ethane;4-[4-[[4-(5-phenyl-9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-4-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 177136978

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile (CID 177349719) is 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile is N#Cc1nccc(N2CC3(CN(Cc4ccc(-c5nc6cc(F)cnc6cc5-c5ccccc5)cc4)C3)C2)n1.
What is the InChIKey of 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile?
The InChIKey is GWHPQMTVKHEYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN7/c32-24-12-27-26(35-15-24)13-25(22-4-2-1-3-5-22)30(36-27)23-8-6-21(7-9-23)16-38-17-31(18-38)19-39(20-31)29-10-11-34-28(14-33)37-29/h1-13,15H,16-20H2.
What are the key properties of 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile?
4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile has a molecular weight of 513.58 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-(7-fluoro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 177349719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).