4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine

C44H36F6N10O2 — CID 135313272

IUPAC4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.FC(F)(F)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/2C22H18F3N5O/c23-22(24,25)15-3-1-14(2-4-15)17-13-19(30-9-11-31-12-10-30)28-20-16(17)5-7-26-21(20)18-6-8-27-29-18;23-22(24,25)17-4-2-1-3-14(17)16-13-19(30-9-11-31-12-10-30)28-20-15(16)5-7-26-21(20)18-6-8-27-29-18/h2*1-8,13H,9-12H2,(H,27,29)
InChIKeyHADMTVHVGKLQCT-UHFFFAOYSA-N
MW850.83 g/mol
LogP9.08
Rot. Bonds6

About 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine

4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313272) has the molecular formula C44H36F6N10O2 and a molecular weight of 850.83 g/mol. Its IUPAC name is 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313272
Molecular FormulaC44H36F6N10O2
Molecular Weight850.83 g/mol
Exact Mass850.29
IUPAC Name4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
SMILESFC(F)(F)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.FC(F)(F)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/2C22H18F3N5O/c23-22(24,25)15-3-1-14(2-4-15)17-13-19(30-9-11-31-12-10-30)28-20-16(17)5-7-26-21(20)18-6-8-27-29-18;23-22(24,25)17-4-2-1-3-14(17)16-13-19(30-9-11-31-12-10-30)28-20-15(16)5-7-26-21(20)18-6-8-27-29-18/h2*1-8,13H,9-12H2,(H,27,29)
InChIKeyHADMTVHVGKLQCT-UHFFFAOYSA-N
XLogP9.08
TPSA133.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.83
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine (CID 135313272) is 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine is FC(F)(F)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.FC(F)(F)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is HADMTVHVGKLQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18F3N5O/c23-22(24,25)15-3-1-14(2-4-15)17-13-19(30-9-11-31-12-10-30)28-20-16(17)5-7-26-21(20)18-6-8-27-29-18;23-22(24,25)17-4-2-1-3-14(17)16-13-19(30-9-11-31-12-10-30)28-20-15(16)5-7-26-21(20)18-6-8-27-29-18/h2*1-8,13H,9-12H2,(H,27,29).
What are the key properties of 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 850.83 g/mol, XLogP of 9.08, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).