2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine

C18H14ClN5 — CID 90288327

IUPAC2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1cccc(Cn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)n1
InChIInChI=1S/C18H14ClN5/c1-12-3-2-4-15(22-12)11-24-10-14(9-21-24)13-7-17-16(20-8-13)5-6-18(19)23-17/h2-10H,11H2,1H3
InChIKeyPHXGDNLMEDAHPS-UHFFFAOYSA-N
MW335.80 g/mol
LogP3.90
Rot. Bonds3

About 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288327) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288327
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1cccc(Cn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)n1
InChIInChI=1S/C18H14ClN5/c1-12-3-2-4-15(22-12)11-24-10-14(9-21-24)13-7-17-16(20-8-13)5-6-18(19)23-17/h2-10H,11H2,1H3
InChIKeyPHXGDNLMEDAHPS-UHFFFAOYSA-N
XLogP3.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 53.90
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-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine (CID 90288327) is 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine is Cc1cccc(Cn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)n1.
What is the InChIKey of 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is PHXGDNLMEDAHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-12-3-2-4-15(22-12)11-24-10-14(9-21-24)13-7-17-16(20-8-13)5-6-18(19)23-17/h2-10H,11H2,1H3.
What are the key properties of 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 335.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).