4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

C29H26F2N6O — CID 53345408

IUPAC4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCCN5CCOCC5)c4)c3)c3cccnc3n2)c1
InChIInChI=1S/C29H26F2N6O/c30-23-4-5-27(31)26(14-23)28-15-25(24-3-1-6-33-29(24)35-28)21-13-20(16-32-17-21)22-18-34-37(19-22)8-2-7-36-9-11-38-12-10-36/h1,3-6,13-19H,2,7-12H2
InChIKeyLQIXVUQDOFUXTC-UHFFFAOYSA-N
MW512.56 g/mol
LogP5.22
Rot. Bonds7

About 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (PubChem CID 53345408) has the molecular formula C29H26F2N6O and a molecular weight of 512.56 g/mol. Its IUPAC name is 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
PubChem CID53345408
Molecular FormulaC29H26F2N6O
Molecular Weight512.56 g/mol
Exact Mass512.21
IUPAC Name4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCCN5CCOCC5)c4)c3)c3cccnc3n2)c1
InChIInChI=1S/C29H26F2N6O/c30-23-4-5-27(31)26(14-23)28-15-25(24-3-1-6-33-29(24)35-28)21-13-20(16-32-17-21)22-18-34-37(19-22)8-2-7-36-9-11-38-12-10-36/h1,3-6,13-19H,2,7-12H2
InChIKeyLQIXVUQDOFUXTC-UHFFFAOYSA-N
XLogP5.22
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (CID 53345408) is 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is Fc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCCN5CCOCC5)c4)c3)c3cccnc3n2)c1.
What is the InChIKey of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The InChIKey is LQIXVUQDOFUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O/c30-23-4-5-27(31)26(14-23)28-15-25(24-3-1-6-33-29(24)35-28)21-13-20(16-32-17-21)22-18-34-37(19-22)8-2-7-36-9-11-38-12-10-36/h1,3-6,13-19H,2,7-12H2.
What are the key properties of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine has a molecular weight of 512.56 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 53345408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).