7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine

C16H16ClFN4 — CID 146400804

IUPAC7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine
SMILESCCCCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1
InChIInChI=1S/C16H16ClFN4/c1-2-3-6-22-10-12(15(8-18)21-22)11-7-14-13(19-9-11)4-5-16(17)20-14/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyDQNWIBZLULMQCP-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.42
Rot. Bonds5

About 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine

7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine (PubChem CID 146400804) has the molecular formula C16H16ClFN4 and a molecular weight of 318.78 g/mol. Its IUPAC name is 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine.

Molecular Properties

Compound Name7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine
PubChem CID146400804
Molecular FormulaC16H16ClFN4
Molecular Weight318.78 g/mol
Exact Mass318.10
IUPAC Name7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine
SMILESCCCCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1
InChIInChI=1S/C16H16ClFN4/c1-2-3-6-22-10-12(15(8-18)21-22)11-7-14-13(19-9-11)4-5-16(17)20-14/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyDQNWIBZLULMQCP-UHFFFAOYSA-N
XLogP4.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine?
The IUPAC name of 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine (CID 146400804) is 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine.
What is the SMILES notation for 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine?
The canonical SMILES for 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine is CCCCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1.
What is the InChIKey of 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine?
The InChIKey is DQNWIBZLULMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4/c1-2-3-6-22-10-12(15(8-18)21-22)11-7-14-13(19-9-11)4-5-16(17)20-14/h4-5,7,9-10H,2-3,6,8H2,1H3.
What are the key properties of 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine?
7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine has a molecular weight of 318.78 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-butyl-3-(fluoromethyl)pyrazol-4-yl]-2-chloro-1,5-naphthyridine is sourced from PubChem (CID 146400804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).