7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine

C22H17BrClFN4O — CID 146661762

IUPAC7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C22H17BrClFN4O/c23-13-9-20-19(26-11-13)7-6-18(27-20)16-12-29(21-3-1-2-8-30-21)28-22(16)15-10-14(24)4-5-17(15)25/h4-7,9-12,21H,1-3,8H2
InChIKeyXRYRZQMDXPNVEO-UHFFFAOYSA-N
MW487.76 g/mol
LogP6.41
Rot. Bonds3

About 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine

7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 146661762) has the molecular formula C22H17BrClFN4O and a molecular weight of 487.76 g/mol. Its IUPAC name is 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID146661762
Molecular FormulaC22H17BrClFN4O
Molecular Weight487.76 g/mol
Exact Mass486.03
IUPAC Name7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C22H17BrClFN4O/c23-13-9-20-19(26-11-13)7-6-18(27-20)16-12-29(21-3-1-2-8-30-21)28-22(16)15-10-14(24)4-5-17(15)25/h4-7,9-12,21H,1-3,8H2
InChIKeyXRYRZQMDXPNVEO-UHFFFAOYSA-N
XLogP6.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.76
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine (CID 146661762) is 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is XRYRZQMDXPNVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClFN4O/c23-13-9-20-19(26-11-13)7-6-18(27-20)16-12-29(21-3-1-2-8-30-21)28-22(16)15-10-14(24)4-5-17(15)25/h4-7,9-12,21H,1-3,8H2.
What are the key properties of 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?
7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 487.76 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 146661762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).