4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine

C29H27FN6O — CID 71038197

IUPAC4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)c3cccnc3n2)c1
InChIInChI=1S/C29H27FN6O/c1-20-4-5-27(30)26(13-20)28-15-25(24-3-2-6-32-29(24)34-28)22-14-21(16-31-17-22)23-18-33-36(19-23)8-7-35-9-11-37-12-10-35/h2-6,13-19H,7-12H2,1H3
InChIKeyQRQDQCHZZNIJCD-UHFFFAOYSA-N
MW494.57 g/mol
LogP5.00
Rot. Bonds6

About 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 71038197) has the molecular formula C29H27FN6O and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
PubChem CID71038197
Molecular FormulaC29H27FN6O
Molecular Weight494.57 g/mol
Exact Mass494.22
IUPAC Name4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)c3cccnc3n2)c1
InChIInChI=1S/C29H27FN6O/c1-20-4-5-27(30)26(13-20)28-15-25(24-3-2-6-32-29(24)34-28)22-14-21(16-31-17-22)23-18-33-36(19-23)8-7-35-9-11-37-12-10-35/h2-6,13-19H,7-12H2,1H3
InChIKeyQRQDQCHZZNIJCD-UHFFFAOYSA-N
XLogP5.00
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

Apy0201
CID 56927660
Bay-41-8543
CID 9953906
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Vabametkib
CID 73504719
2-(5-{1-[(4-{2-methoxy-6-phenylpyrido[2,3-d]pyrimidin-7-yl}phenyl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)pyridine
CID 11577612
Pyrazolo pyrimidine, 5k
CID 25196900
Pyrazolo pyrimidine, 5l
CID 44520816
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582454
2-[4-[3-[1-(5,7-Difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 141456400
Sos1-IN-11
CID 156526876
Pyrazolo pyrimidine, 5i
CID 44520814

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine (CID 71038197) is 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine is Cc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)c3cccnc3n2)c1.
What is the InChIKey of 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is QRQDQCHZZNIJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O/c1-20-4-5-27(30)26(13-20)28-15-25(24-3-2-6-32-29(24)34-28)22-14-21(16-31-17-22)23-18-33-36(19-23)8-7-35-9-11-37-12-10-35/h2-6,13-19H,7-12H2,1H3.
What are the key properties of 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 494.57 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 71038197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).