2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide

C20H16F2N6O2 — CID 146591961

IUPAC2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
SMILESCC(Oc1cc2cc(C(N)=O)c(F)cc2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C20H16F2N6O2/c1-10(18-16(7-12(21)9-25-18)28-4-2-3-26-28)30-17-6-11-5-13(20(24)29)14(22)8-15(11)27-19(17)23/h2-10H,1H3,(H2,23,27)(H2,24,29)
InChIKeyYJMLJYGHNOCQSC-UHFFFAOYSA-N
MW410.38 g/mol
LogP2.91
Rot. Bonds5

About 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide

2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (PubChem CID 146591961) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
PubChem CID146591961
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
SMILESCC(Oc1cc2cc(C(N)=O)c(F)cc2nc1N)c1ncc(F)cc1-n1cccn1
InChIInChI=1S/C20H16F2N6O2/c1-10(18-16(7-12(21)9-25-18)28-4-2-3-26-28)30-17-6-11-5-13(20(24)29)14(22)8-15(11)27-19(17)23/h2-10H,1H3,(H2,23,27)(H2,24,29)
InChIKeyYJMLJYGHNOCQSC-UHFFFAOYSA-N
XLogP2.91
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide 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-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The IUPAC name of 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide (CID 146591961) is 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is CC(Oc1cc2cc(C(N)=O)c(F)cc2nc1N)c1ncc(F)cc1-n1cccn1.
What is the InChIKey of 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
The InChIKey is YJMLJYGHNOCQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-10(18-16(7-12(21)9-25-18)28-4-2-3-26-28)30-17-6-11-5-13(20(24)29)14(22)8-15(11)27-19(17)23/h2-10H,1H3,(H2,23,27)(H2,24,29).
What are the key properties of 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide?
2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide is sourced from PubChem (CID 146591961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).