2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine

C28H25FN6 — CID 53344961

IUPAC2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H25FN6/c29-26-8-2-1-6-24(26)27-15-25(23-7-5-9-31-28(23)33-27)21-14-20(16-30-17-21)22-18-32-35(19-22)13-12-34-10-3-4-11-34/h1-2,5-9,14-19H,3-4,10-13H2
InChIKeyOVSJEHZBZZRBGQ-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.46
Rot. Bonds6

About 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine

2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53344961) has the molecular formula C28H25FN6 and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID53344961
Molecular FormulaC28H25FN6
Molecular Weight464.55 g/mol
Exact Mass464.21
IUPAC Name2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H25FN6/c29-26-8-2-1-6-24(26)27-15-25(23-7-5-9-31-28(23)33-27)21-14-20(16-30-17-21)22-18-32-35(19-22)13-12-34-10-3-4-11-34/h1-2,5-9,14-19H,3-4,10-13H2
InChIKeyOVSJEHZBZZRBGQ-UHFFFAOYSA-N
XLogP5.46
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (CID 53344961) is 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is OVSJEHZBZZRBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6/c29-26-8-2-1-6-24(26)27-15-25(23-7-5-9-31-28(23)33-27)21-14-20(16-30-17-21)22-18-32-35(19-22)13-12-34-10-3-4-11-34/h1-2,5-9,14-19H,3-4,10-13H2.
What are the key properties of 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 464.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53344961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).