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

C19H15BrN6O3 — CID 146591911

IUPAC[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid
SMILESC[C@H](Oc1cc2ncccc2nc1NC(=O)O)c1nc(Br)ccc1-n1cccn1
InChIInChI=1S/C19H15BrN6O3/c1-11(17-14(5-6-16(20)24-17)26-9-3-8-22-26)29-15-10-13-12(4-2-7-21-13)23-18(15)25-19(27)28/h2-11H,1H3,(H,23,25)(H,27,28)/t11-/m0/s1
InChIKeyBFDYNLZUOCJHTK-NSHDSACASA-N
MW455.27 g/mol
LogP4.20
Rot. Bonds5

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

[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid (PubChem CID 146591911) has the molecular formula C19H15BrN6O3 and a molecular weight of 455.27 g/mol. Its IUPAC name is [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid
PubChem CID146591911
Molecular FormulaC19H15BrN6O3
Molecular Weight455.27 g/mol
Exact Mass454.04
IUPAC Name[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid
SMILESC[C@H](Oc1cc2ncccc2nc1NC(=O)O)c1nc(Br)ccc1-n1cccn1
InChIInChI=1S/C19H15BrN6O3/c1-11(17-14(5-6-16(20)24-17)26-9-3-8-22-26)29-15-10-13-12(4-2-7-21-13)23-18(15)25-19(27)28/h2-11H,1H3,(H,23,25)(H,27,28)/t11-/m0/s1
InChIKeyBFDYNLZUOCJHTK-NSHDSACASA-N
XLogP4.20
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.27
LogP ≤ 54.20
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-[1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-7-fluoro-1,5-naphthyridin-2-yl]carbamic acid
CID 146592018
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
6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146592104
tert-butyl N-[3-[(6-bromo-3-pyrazol-1-yl-2-pyridinyl)methoxy]-6-fluoroquinolin-2-yl]carbamate
CID 146639261
2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146591961
6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146592038
2-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
CID 175753303
(2R)-2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 39166908
methyl 2-(1,3-dioxoisoindol-2-yl)-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxylate
CID 146638250
2-phenoxy-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 43063138
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid?
The IUPAC name of [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid (CID 146591911) is [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid.
What is the SMILES notation for [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid?
The canonical SMILES for [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid is C[C@H](Oc1cc2ncccc2nc1NC(=O)O)c1nc(Br)ccc1-n1cccn1.
What is the InChIKey of [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid?
The InChIKey is BFDYNLZUOCJHTK-NSHDSACASA-N. The full InChI is InChI=1S/C19H15BrN6O3/c1-11(17-14(5-6-16(20)24-17)26-9-3-8-22-26)29-15-10-13-12(4-2-7-21-13)23-18(15)25-19(27)28/h2-11H,1H3,(H,23,25)(H,27,28)/t11-/m0/s1.
What are the key properties of [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid?
[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid has a molecular weight of 455.27 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid is sourced from PubChem (CID 146591911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).