4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile

C30H25N7O — CID 177349520

IUPAC4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCN(Cc3ccc(-c4nc5ccc(=O)[nH]c5cc4-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C30H25N7O/c31-19-27-32-13-12-28(35-27)37-16-14-36(15-17-37)20-21-6-8-23(9-7-21)30-24(22-4-2-1-3-5-22)18-26-25(34-30)10-11-29(38)33-26/h1-13,18H,14-17,20H2,(H,33,38)
InChIKeyKBUFJOCSQFWOPZ-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.24
Rot. Bonds5

About 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile

4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile (PubChem CID 177349520) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
PubChem CID177349520
Molecular FormulaC30H25N7O
Molecular Weight499.58 g/mol
Exact Mass499.21
IUPAC Name4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCN(Cc3ccc(-c4nc5ccc(=O)[nH]c5cc4-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C30H25N7O/c31-19-27-32-13-12-28(35-27)37-16-14-36(15-17-37)20-21-6-8-23(9-7-21)30-24(22-4-2-1-3-5-22)18-26-25(34-30)10-11-29(38)33-26/h1-13,18H,14-17,20H2,(H,33,38)
InChIKeyKBUFJOCSQFWOPZ-UHFFFAOYSA-N
XLogP4.24
TPSA101.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-1,4-diazepan-1-yl]pyrimidine-2-carbonitrile
CID 177349912
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
6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-7-phenyl-1,5-naphthyridine-2-carboxamide
CID 177349514
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
7-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-6-phenyl-1,8-naphthyridine-3-carboxylic acid
CID 177349353
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
6-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-2-ethyl-5-phenylpyridine-3-carboxamide
CID 177349527
4-[4-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 171495450
7-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 177349753
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-[[1-[[4-(3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349704

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile (CID 177349520) is 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile is N#Cc1nccc(N2CCN(Cc3ccc(-c4nc5ccc(=O)[nH]c5cc4-c4ccccc4)cc3)CC2)n1.
What is the InChIKey of 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
The InChIKey is KBUFJOCSQFWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c31-19-27-32-13-12-28(35-27)37-16-14-36(15-17-37)20-21-6-8-23(9-7-21)30-24(22-4-2-1-3-5-22)18-26-25(34-30)10-11-29(38)33-26/h1-13,18H,14-17,20H2,(H,33,38).
What are the key properties of 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile has a molecular weight of 499.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 177349520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).