2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine

C25H24ClFN6 — CID 146661893

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC(N4CCCCC4)C3)cc2n1
InChIInChI=1S/C25H24ClFN6/c26-16-4-5-21(27)19(10-16)25-20(13-29-31-25)22-6-7-23-24(30-22)11-17(12-28-23)33-14-18(15-33)32-8-2-1-3-9-32/h4-7,10-13,18H,1-3,8-9,14-15H2,(H,29,31)
InChIKeyWLQIYMJHJHJZEP-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.15
Rot. Bonds4

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine (PubChem CID 146661893) has the molecular formula C25H24ClFN6 and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine
PubChem CID146661893
Molecular FormulaC25H24ClFN6
Molecular Weight462.96 g/mol
Exact Mass462.17
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC(N4CCCCC4)C3)cc2n1
InChIInChI=1S/C25H24ClFN6/c26-16-4-5-21(27)19(10-16)25-20(13-29-31-25)22-6-7-23-24(30-22)11-17(12-28-23)33-14-18(15-33)32-8-2-1-3-9-32/h4-7,10-13,18H,1-3,8-9,14-15H2,(H,29,31)
InChIKeyWLQIYMJHJHJZEP-UHFFFAOYSA-N
XLogP5.15
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine (CID 146661893) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC(N4CCCCC4)C3)cc2n1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?
The InChIKey is WLQIYMJHJHJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6/c26-16-4-5-21(27)19(10-16)25-20(13-29-31-25)22-6-7-23-24(30-22)11-17(12-28-23)33-14-18(15-33)32-8-2-1-3-9-32/h4-7,10-13,18H,1-3,8-9,14-15H2,(H,29,31).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine has a molecular weight of 462.96 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3-piperidin-1-ylazetidin-1-yl)-1,5-naphthyridine is sourced from PubChem (CID 146661893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).