2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine

C17H12ClN5 — CID 90288510

IUPAC2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(-c2cccnc2)n1
InChIInChI=1S/C17H12ClN5/c1-23-10-13(17(22-23)11-3-2-6-19-8-11)12-7-15-14(20-9-12)4-5-16(18)21-15/h2-10H,1H3
InChIKeyKHJHNCUAJJEFMG-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine

2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine (PubChem CID 90288510) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
PubChem CID90288510
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(-c2cccnc2)n1
InChIInChI=1S/C17H12ClN5/c1-23-10-13(17(22-23)11-3-2-6-19-8-11)12-7-15-14(20-9-12)4-5-16(18)21-15/h2-10H,1H3
InChIKeyKHJHNCUAJJEFMG-UHFFFAOYSA-N
XLogP3.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine (CID 90288510) is 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(-c2cccnc2)n1.
What is the InChIKey of 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is KHJHNCUAJJEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c1-23-10-13(17(22-23)11-3-2-6-19-8-11)12-7-15-14(20-9-12)4-5-16(18)21-15/h2-10H,1H3.
What are the key properties of 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 321.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 90288510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).