1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one

C26H21ClFN5O2 — CID 59483952

IUPAC1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(F)c3=O)c2n1
InChIInChI=1S/C26H21ClFN5O2/c1-16-11-19(23-8-9-30-32(23)2)18-5-3-7-24(25(18)31-16)35-15-20-17(12-29-13-21(20)27)14-33-10-4-6-22(28)26(33)34/h3-13H,14-15H2,1-2H3
InChIKeyBRPFIKQSRJILGG-UHFFFAOYSA-N
MW489.94 g/mol
LogP4.92
Rot. Bonds6

About 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one

1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one (PubChem CID 59483952) has the molecular formula C26H21ClFN5O2 and a molecular weight of 489.94 g/mol. Its IUPAC name is 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one
PubChem CID59483952
Molecular FormulaC26H21ClFN5O2
Molecular Weight489.94 g/mol
Exact Mass489.14
IUPAC Name1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(F)c3=O)c2n1
InChIInChI=1S/C26H21ClFN5O2/c1-16-11-19(23-8-9-30-32(23)2)18-5-3-7-24(25(18)31-16)35-15-20-17(12-29-13-21(20)27)14-33-10-4-6-22(28)26(33)34/h3-13H,14-15H2,1-2H3
InChIKeyBRPFIKQSRJILGG-UHFFFAOYSA-N
XLogP4.92
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one?
The IUPAC name of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one (CID 59483952) is 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one.
What is the SMILES notation for 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one?
The canonical SMILES for 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(F)c3=O)c2n1.
What is the InChIKey of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one?
The InChIKey is BRPFIKQSRJILGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O2/c1-16-11-19(23-8-9-30-32(23)2)18-5-3-7-24(25(18)31-16)35-15-20-17(12-29-13-21(20)27)14-33-10-4-6-22(28)26(33)34/h3-13H,14-15H2,1-2H3.
What are the key properties of 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one?
1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one has a molecular weight of 489.94 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-fluoropyridin-2-one is sourced from PubChem (CID 59483952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).