2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine

C25H20F2N6O — CID 146662138

IUPAC2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
SMILESFc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(-c4cn[nH]c4)cc3n2)cc1F
InChIInChI=1S/C25H20F2N6O/c26-19-5-4-15(9-20(19)27)25-18(14-33(32-25)24-3-1-2-8-34-24)21-6-7-22-23(31-21)10-16(11-28-22)17-12-29-30-13-17/h4-7,9-14,24H,1-3,8H2,(H,29,30)
InChIKeyFBJQLDRIKMGAFQ-UHFFFAOYSA-N
MW458.47 g/mol
LogP5.53
Rot. Bonds4

About 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine

2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine (PubChem CID 146662138) has the molecular formula C25H20F2N6O and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
PubChem CID146662138
Molecular FormulaC25H20F2N6O
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Name2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
SMILESFc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(-c4cn[nH]c4)cc3n2)cc1F
InChIInChI=1S/C25H20F2N6O/c26-19-5-4-15(9-20(19)27)25-18(14-33(32-25)24-3-1-2-8-34-24)21-6-7-22-23(31-21)10-16(11-28-22)17-12-29-30-13-17/h4-7,9-14,24H,1-3,8H2,(H,29,30)
InChIKeyFBJQLDRIKMGAFQ-UHFFFAOYSA-N
XLogP5.53
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine (CID 146662138) is 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine is Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(-c4cn[nH]c4)cc3n2)cc1F.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is FBJQLDRIKMGAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O/c26-19-5-4-15(9-20(19)27)25-18(14-33(32-25)24-3-1-2-8-34-24)21-6-7-22-23(31-21)10-16(11-28-22)17-12-29-30-13-17/h4-7,9-14,24H,1-3,8H2,(H,29,30).
What are the key properties of 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine?
2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 458.47 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 146662138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).