[3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid

C19H14BrFN6O3 — CID 146592018

IUPAC[3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid
SMILESCC(Oc1cc2ncc(F)cc2nc1NC(=O)O)c1nc(Br)ccc1-n1cccn1
InChIInChI=1S/C19H14BrFN6O3/c1-10(17-14(3-4-16(20)25-17)27-6-2-5-23-27)30-15-8-12-13(7-11(21)9-22-12)24-18(15)26-19(28)29/h2-10H,1H3,(H,24,26)(H,28,29)
InChIKeySQDMBGLFSQIDLK-UHFFFAOYSA-N
MW473.26 g/mol
LogP4.34
Rot. Bonds5

About [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid

[3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid (PubChem CID 146592018) has the molecular formula C19H14BrFN6O3 and a molecular weight of 473.26 g/mol. Its IUPAC name is [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid
PubChem CID146592018
Molecular FormulaC19H14BrFN6O3
Molecular Weight473.26 g/mol
Exact Mass472.03
IUPAC Name[3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid
SMILESCC(Oc1cc2ncc(F)cc2nc1NC(=O)O)c1nc(Br)ccc1-n1cccn1
InChIInChI=1S/C19H14BrFN6O3/c1-10(17-14(3-4-16(20)25-17)27-6-2-5-23-27)30-15-8-12-13(7-11(21)9-22-12)24-18(15)26-19(28)29/h2-10H,1H3,(H,24,26)(H,28,29)
InChIKeySQDMBGLFSQIDLK-UHFFFAOYSA-N
XLogP4.34
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.26
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid
CID 146591911
6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146592038
1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethanol
CID 146592030
2-[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-6,8-difluoroquinolin-2-yl]isoindole-1,3-dione
CID 146591981
2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146591961
tert-butyl N-[3-[(6-bromo-3-pyrazol-1-yl-2-pyridinyl)methoxy]-6-fluoroquinolin-2-yl]carbamate
CID 146639261
methyl 2-(1,3-dioxoisoindol-2-yl)-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxylate
CID 146638250
5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146591927
6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146592104
methyl 2-(1,3-dioxoisoindol-2-yl)-8-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxylate
CID 146591835
5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
CID 146592081
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoate
CID 166016201

Frequently Asked Questions

What is the IUPAC name of [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid?
The IUPAC name of [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid (CID 146592018) is [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid.
What is the SMILES notation for [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid?
The canonical SMILES for [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid is CC(Oc1cc2ncc(F)cc2nc1NC(=O)O)c1nc(Br)ccc1-n1cccn1.
What is the InChIKey of [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid?
The InChIKey is SQDMBGLFSQIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN6O3/c1-10(17-14(3-4-16(20)25-17)27-6-2-5-23-27)30-15-8-12-13(7-11(21)9-22-12)24-18(15)26-19(28)29/h2-10H,1H3,(H,24,26)(H,28,29).
What are the key properties of [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid?
[3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid has a molecular weight of 473.26 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid is sourced from PubChem (CID 146592018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).