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

C30H29FN6O — CID 53345519

IUPAC2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCOCCN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C30H29FN6O/c1-38-14-13-36-11-8-24(9-12-36)37-20-23(19-34-37)21-15-22(18-32-17-21)27-16-29(26-5-2-3-7-28(26)31)35-30-25(27)6-4-10-33-30/h2-7,10,15-20,24H,8-9,11-14H2,1H3
InChIKeyICRYJRYVQMDQQY-UHFFFAOYSA-N
MW508.60 g/mol
LogP5.64
Rot. Bonds7

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

2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53345519) has the molecular formula C30H29FN6O and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID53345519
Molecular FormulaC30H29FN6O
Molecular Weight508.60 g/mol
Exact Mass508.24
IUPAC Name2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCOCCN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1
InChIInChI=1S/C30H29FN6O/c1-38-14-13-36-11-8-24(9-12-36)37-20-23(19-34-37)21-15-22(18-32-17-21)27-16-29(26-5-2-3-7-28(26)31)35-30-25(27)6-4-10-33-30/h2-7,10,15-20,24H,8-9,11-14H2,1H3
InChIKeyICRYJRYVQMDQQY-UHFFFAOYSA-N
XLogP5.64
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine (CID 53345519) is 2-(2-fluorophenyl)-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-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is COCCN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is ICRYJRYVQMDQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O/c1-38-14-13-36-11-8-24(9-12-36)37-20-23(19-34-37)21-15-22(18-32-17-21)27-16-29(26-5-2-3-7-28(26)31)35-30-25(27)6-4-10-33-30/h2-7,10,15-20,24H,8-9,11-14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine?
2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 508.60 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53345519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).