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

C28H24ClFN6 — CID 71008278

IUPAC2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCN1CCC(n2cc(-c3ncccc3-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cn2)CC1
InChIInChI=1S/C28H24ClFN6/c1-35-12-8-20(9-13-35)36-17-18(16-33-36)27-21(4-2-10-31-27)23-15-26(24-14-19(29)6-7-25(24)30)34-28-22(23)5-3-11-32-28/h2-7,10-11,14-17,20H,8-9,12-13H2,1H3
InChIKeyQAMIEPSSDRXGAW-UHFFFAOYSA-N
MW498.99 g/mol
LogP6.28
Rot. Bonds4

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

2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 71008278) has the molecular formula C28H24ClFN6 and a molecular weight of 498.99 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID71008278
Molecular FormulaC28H24ClFN6
Molecular Weight498.99 g/mol
Exact Mass498.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCN1CCC(n2cc(-c3ncccc3-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cn2)CC1
InChIInChI=1S/C28H24ClFN6/c1-35-12-8-20(9-13-35)36-17-18(16-33-36)27-21(4-2-10-31-27)23-15-26(24-14-19(29)6-7-25(24)30)34-28-22(23)5-3-11-32-28/h2-7,10-11,14-17,20H,8-9,12-13H2,1H3
InChIKeyQAMIEPSSDRXGAW-UHFFFAOYSA-N
XLogP6.28
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.99
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (CID 71008278) is 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is CN1CCC(n2cc(-c3ncccc3-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cn2)CC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is QAMIEPSSDRXGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6/c1-35-12-8-20(9-13-35)36-17-18(16-33-36)27-21(4-2-10-31-27)23-15-26(24-14-19(29)6-7-25(24)30)34-28-22(23)5-3-11-32-28/h2-7,10-11,14-17,20H,8-9,12-13H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 498.99 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 71008278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).