1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile

C27H21ClN6O3 — CID 59483959

IUPAC1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(Cl)c[nH]c(=O)c3Cn3cccc(C#N)c3=O)c2n1
InChIInChI=1S/C27H21ClN6O3/c1-15-11-31-33-24(15)19-9-16(2)32-25-18(19)6-3-7-23(25)37-14-21-20(26(35)30-12-22(21)28)13-34-8-4-5-17(10-29)27(34)36/h3-9,11-12H,13-14H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyOIDBLAOGJIIVSY-UHFFFAOYSA-N
MW512.96 g/mol
LogP4.24
Rot. Bonds6

About 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile

1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 59483959) has the molecular formula C27H21ClN6O3 and a molecular weight of 512.96 g/mol. Its IUPAC name is 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile
PubChem CID59483959
Molecular FormulaC27H21ClN6O3
Molecular Weight512.96 g/mol
Exact Mass512.14
IUPAC Name1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(Cl)c[nH]c(=O)c3Cn3cccc(C#N)c3=O)c2n1
InChIInChI=1S/C27H21ClN6O3/c1-15-11-31-33-24(15)19-9-16(2)32-25-18(19)6-3-7-23(25)37-14-21-20(26(35)30-12-22(21)28)13-34-8-4-5-17(10-29)27(34)36/h3-9,11-12H,13-14H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyOIDBLAOGJIIVSY-UHFFFAOYSA-N
XLogP4.24
TPSA129.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.96
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-chloro-3-[[4-[4-(hydroxymethyl)-1H-pyrazol-5-yl]-2-methylquinolin-8-yl]oxymethyl]-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 25018172
1-[1-[4-chloro-6-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]ethyl]-2-oxopyridine-3-carbonitrile
CID 59484046
1-[[3-[[4-(4-cyano-1H-pyrazol-5-yl)-2-methylquinolin-8-yl]oxymethyl]-4-iodo-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 70850271
4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one
CID 59484376
1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 90703738
1-[[3-[[4-(5-cyano-1-methylpyrrol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methoxy-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 59483985
1-[[4-chloro-3-[[4-(4-methoxypyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 45110068
5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-1-methylpyrrole-2-carbonitrile
CID 45111417
1-[[3-[[4-[[(E)-3-amino-2-chloroprop-2-enylidene]amino]-2-methylquinolin-8-yl]oxymethyl]-4-chloro-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 145480862
3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one
CID 59484125
N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]benzamide
CID 59484122
1-[[2-ethyl-5-fluoro-4-[[2-methyl-4-(3-methyl-1H-pyrrol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-(methyliminomethyl)pyridin-2-one
CID 91285478

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile (CID 59483959) is 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile is Cc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(Cl)c[nH]c(=O)c3Cn3cccc(C#N)c3=O)c2n1.
What is the InChIKey of 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is OIDBLAOGJIIVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN6O3/c1-15-11-31-33-24(15)19-9-16(2)32-25-18(19)6-3-7-23(25)37-14-21-20(26(35)30-12-22(21)28)13-34-8-4-5-17(10-29)27(34)36/h3-9,11-12H,13-14H2,1-2H3,(H,30,35)(H,31,33).
What are the key properties of 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile?
1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 512.96 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 59483959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).