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

C24H17ClFN5O — CID 53346051

IUPAC2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C24H17ClFN5O/c25-18-3-4-22(26)21(9-18)23-10-20(19-2-1-5-28-24(19)30-23)16-8-15(11-27-12-16)17-13-29-31(14-17)6-7-32/h1-5,8-14,32H,6-7H2
InChIKeyNHCDIKVEYYUBIY-UHFFFAOYSA-N
MW445.89 g/mol
LogP5.01
Rot. Bonds5

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

2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol (PubChem CID 53346051) has the molecular formula C24H17ClFN5O and a molecular weight of 445.89 g/mol. Its IUPAC name is 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol
PubChem CID53346051
Molecular FormulaC24H17ClFN5O
Molecular Weight445.89 g/mol
Exact Mass445.11
IUPAC Name2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C24H17ClFN5O/c25-18-3-4-22(26)21(9-18)23-10-20(19-2-1-5-28-24(19)30-23)16-8-15(11-27-12-16)17-13-29-31(14-17)6-7-32/h1-5,8-14,32H,6-7H2
InChIKeyNHCDIKVEYYUBIY-UHFFFAOYSA-N
XLogP5.01
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol (CID 53346051) is 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.
What is the InChIKey of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol?
The InChIKey is NHCDIKVEYYUBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN5O/c25-18-3-4-22(26)21(9-18)23-10-20(19-2-1-5-28-24(19)30-23)16-8-15(11-27-12-16)17-13-29-31(14-17)6-7-32/h1-5,8-14,32H,6-7H2.
What are the key properties of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol?
2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol has a molecular weight of 445.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 53346051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).