2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine

C26H22Cl2N8O — CID 158810040

IUPAC2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
SMILESCOC(C)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.Clc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C15H15ClN4O.C11H7ClN4/c1-10(21-2)8-20-9-12(7-18-20)11-5-14-13(17-6-11)3-4-15(16)19-14;12-11-2-1-9-10(16-11)3-7(4-13-9)8-5-14-15-6-8/h3-7,9-10H,8H2,1-2H3;1-6H,(H,14,15)
InChIKeyIUOHZXJIIJYQEL-UHFFFAOYSA-N
MW533.42 g/mol
LogP5.85
Rot. Bonds5

About 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine

2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine (PubChem CID 158810040) has the molecular formula C26H22Cl2N8O and a molecular weight of 533.42 g/mol. Its IUPAC name is 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
PubChem CID158810040
Molecular FormulaC26H22Cl2N8O
Molecular Weight533.42 g/mol
Exact Mass532.13
IUPAC Name2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
SMILESCOC(C)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.Clc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C15H15ClN4O.C11H7ClN4/c1-10(21-2)8-20-9-12(7-18-20)11-5-14-13(17-6-11)3-4-15(16)19-14;12-11-2-1-9-10(16-11)3-7(4-13-9)8-5-14-15-6-8/h3-7,9-10H,8H2,1-2H3;1-6H,(H,14,15)
InChIKeyIUOHZXJIIJYQEL-UHFFFAOYSA-N
XLogP5.85
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869498
4-(5-chloro-2-fluoropyridin-3-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 122585583
4-(4-Chlorophenyl)-2-(4-morpholinyl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridine
CID 118869457
4-(5-chloropyridin-3-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869509
4-(2-chloropyridin-4-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869563
4-(2-chlorophenyl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118890825
4-[3-[4-(6-Chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine
CID 90289032
4-[3-[4-(6-Chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-fluoropropyl]morpholine
CID 90289423
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
CID 146661691
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
CID 146661721
methyl 3-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 146661725
2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 146661728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine (CID 158810040) is 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine is COC(C)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.Clc1ccc2ncc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is IUOHZXJIIJYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O.C11H7ClN4/c1-10(21-2)8-20-9-12(7-18-20)11-5-14-13(17-6-11)3-4-15(16)19-14;12-11-2-1-9-10(16-11)3-7(4-13-9)8-5-14-15-6-8/h3-7,9-10H,8H2,1-2H3;1-6H,(H,14,15).
What are the key properties of 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 533.42 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-(2-methoxypropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-(1H-pyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 158810040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).