2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide

C26H18ClF2N5O2 — CID 11752492

IUPAC2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide
SMILESCn1nc(-c2cccnc2)c(COc2ccccc2C(=O)Nc2cnc3cc(F)c(F)cc3c2)c1Cl
InChIInChI=1S/C26H18ClF2N5O2/c1-34-25(27)19(24(33-34)15-5-4-8-30-12-15)14-36-23-7-3-2-6-18(23)26(35)32-17-9-16-10-20(28)21(29)11-22(16)31-13-17/h2-13H,14H2,1H3,(H,32,35)
InChIKeyJRTXKTILGUAHRA-UHFFFAOYSA-N
MW505.91 g/mol
LogP5.79
Rot. Bonds6

About 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide

2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide (PubChem CID 11752492) has the molecular formula C26H18ClF2N5O2 and a molecular weight of 505.91 g/mol. Its IUPAC name is 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide
PubChem CID11752492
Molecular FormulaC26H18ClF2N5O2
Molecular Weight505.91 g/mol
Exact Mass505.11
IUPAC Name2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide
SMILESCn1nc(-c2cccnc2)c(COc2ccccc2C(=O)Nc2cnc3cc(F)c(F)cc3c2)c1Cl
InChIInChI=1S/C26H18ClF2N5O2/c1-34-25(27)19(24(33-34)15-5-4-8-30-12-15)14-36-23-7-3-2-6-18(23)26(35)32-17-9-16-10-20(28)21(29)11-22(16)31-13-17/h2-13H,14H2,1H3,(H,32,35)
InChIKeyJRTXKTILGUAHRA-UHFFFAOYSA-N
XLogP5.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.91
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide 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 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
The IUPAC name of 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide (CID 11752492) is 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide.
What is the SMILES notation for 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
The canonical SMILES for 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide is Cn1nc(-c2cccnc2)c(COc2ccccc2C(=O)Nc2cnc3cc(F)c(F)cc3c2)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
The InChIKey is JRTXKTILGUAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N5O2/c1-34-25(27)19(24(33-34)15-5-4-8-30-12-15)14-36-23-7-3-2-6-18(23)26(35)32-17-9-16-10-20(28)21(29)11-22(16)31-13-17/h2-13H,14H2,1H3,(H,32,35).
What are the key properties of 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide has a molecular weight of 505.91 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide is sourced from PubChem (CID 11752492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).