2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine

C30H28F2N6O — CID 53345410

IUPAC2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCOCCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(F)ccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C30H28F2N6O/c1-39-12-11-37-9-6-24(7-10-37)38-19-22(18-35-38)20-13-21(17-33-16-20)26-15-29(27-14-23(31)4-5-28(27)32)36-30-25(26)3-2-8-34-30/h2-5,8,13-19,24H,6-7,9-12H2,1H3
InChIKeyOIEBODVITSBZNL-UHFFFAOYSA-N
MW526.59 g/mol
LogP5.78
Rot. Bonds7

About 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine

2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53345410) has the molecular formula C30H28F2N6O and a molecular weight of 526.59 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID53345410
Molecular FormulaC30H28F2N6O
Molecular Weight526.59 g/mol
Exact Mass526.23
IUPAC Name2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCOCCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(F)ccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C30H28F2N6O/c1-39-12-11-37-9-6-24(7-10-37)38-19-22(18-35-38)20-13-21(17-33-16-20)26-15-29(27-14-23(31)4-5-28(27)32)36-30-25(26)3-2-8-34-30/h2-5,8,13-19,24H,6-7,9-12H2,1H3
InChIKeyOIEBODVITSBZNL-UHFFFAOYSA-N
XLogP5.78
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (CID 53345410) is 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is COCCN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(F)ccc5F)nc5ncccc45)c3)cn2)CC1.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is OIEBODVITSBZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O/c1-39-12-11-37-9-6-24(7-10-37)38-19-22(18-35-38)20-13-21(17-33-16-20)26-15-29(27-14-23(31)4-5-28(27)32)36-30-25(26)3-2-8-34-30/h2-5,8,13-19,24H,6-7,9-12H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 526.59 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53345410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).