2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide

C26H18ClF2N5O2 — CID 67270705

IUPAC2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide
SMILESCC(Oc1ccccc1C(=O)Nc1cnc2cc(F)c(F)cc2c1)c1c(-c2cccnc2)n[nH]c1Cl
InChIInChI=1S/C26H18ClF2N5O2/c1-14(23-24(33-34-25(23)27)15-5-4-8-30-12-15)36-22-7-3-2-6-18(22)26(35)32-17-9-16-10-19(28)20(29)11-21(16)31-13-17/h2-14H,1H3,(H,32,35)(H,33,34)
InChIKeyUESOYWAQBDWEIY-UHFFFAOYSA-N
MW505.91 g/mol
LogP6.34
Rot. Bonds6

About 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide

2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide (PubChem CID 67270705) has the molecular formula C26H18ClF2N5O2 and a molecular weight of 505.91 g/mol. Its IUPAC name is 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide.

Molecular Properties

Compound Name2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide
PubChem CID67270705
Molecular FormulaC26H18ClF2N5O2
Molecular Weight505.91 g/mol
Exact Mass505.11
IUPAC Name2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide
SMILESCC(Oc1ccccc1C(=O)Nc1cnc2cc(F)c(F)cc2c1)c1c(-c2cccnc2)n[nH]c1Cl
InChIInChI=1S/C26H18ClF2N5O2/c1-14(23-24(33-34-25(23)27)15-5-4-8-30-12-15)36-22-7-3-2-6-18(22)26(35)32-17-9-16-10-19(28)20(29)11-21(16)31-13-17/h2-14H,1H3,(H,32,35)(H,33,34)
InChIKeyUESOYWAQBDWEIY-UHFFFAOYSA-N
XLogP6.34
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.91
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
The IUPAC name of 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide (CID 67270705) is 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide.
What is the SMILES notation for 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
The canonical SMILES for 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide is CC(Oc1ccccc1C(=O)Nc1cnc2cc(F)c(F)cc2c1)c1c(-c2cccnc2)n[nH]c1Cl.
What is the InChIKey of 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
The InChIKey is UESOYWAQBDWEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N5O2/c1-14(23-24(33-34-25(23)27)15-5-4-8-30-12-15)36-22-7-3-2-6-18(22)26(35)32-17-9-16-10-19(28)20(29)11-21(16)31-13-17/h2-14H,1H3,(H,32,35)(H,33,34).
What are the key properties of 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide?
2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide has a molecular weight of 505.91 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-3-pyridin-3-yl-1H-pyrazol-4-yl)ethoxy]-N-(6,7-difluoroquinolin-3-yl)benzamide is sourced from PubChem (CID 67270705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).