2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

C18H14ClN5O — CID 90288365

IUPAC2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCOc1cncc(-c2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)c1
InChIInChI=1S/C18H14ClN5O/c1-24-10-14(18(23-24)12-5-13(25-2)9-20-7-12)11-6-16-15(21-8-11)3-4-17(19)22-16/h3-10H,1-2H3
InChIKeyYPWVRPJADWORIU-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.75
Rot. Bonds3

About 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288365) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288365
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCOc1cncc(-c2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)c1
InChIInChI=1S/C18H14ClN5O/c1-24-10-14(18(23-24)12-5-13(25-2)9-20-7-12)11-6-16-15(21-8-11)3-4-17(19)22-16/h3-10H,1-2H3
InChIKeyYPWVRPJADWORIU-UHFFFAOYSA-N
XLogP3.75
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (CID 90288365) is 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is COc1cncc(-c2nn(C)cc2-c2cnc3ccc(Cl)nc3c2)c1.
What is the InChIKey of 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is YPWVRPJADWORIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-24-10-14(18(23-24)12-5-13(25-2)9-20-7-12)11-6-16-15(21-8-11)3-4-17(19)22-16/h3-10H,1-2H3.
What are the key properties of 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 351.80 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-(5-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).