4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine

C43H36ClF3N10O2 — CID 135313157

IUPAC4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
SMILESClc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.FC(F)(F)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C22H18F3N5O.C21H18ClN5O/c23-22(24,25)15-3-1-2-14(12-15)17-13-19(30-8-10-31-11-9-30)28-20-16(17)4-6-26-21(20)18-5-7-27-29-18;22-15-3-1-2-14(12-15)17-13-19(27-8-10-28-11-9-27)25-20-16(17)4-6-23-21(20)18-5-7-24-26-18/h1-7,12-13H,8-11H2,(H,27,29);1-7,12-13H,8-11H2,(H,24,26)
InChIKeyRPAGGHIKYQDRBX-UHFFFAOYSA-N
MW817.28 g/mol
LogP8.72
Rot. Bonds6

About 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine

4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313157) has the molecular formula C43H36ClF3N10O2 and a molecular weight of 817.28 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313157
Molecular FormulaC43H36ClF3N10O2
Molecular Weight817.28 g/mol
Exact Mass816.27
IUPAC Name4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
SMILESClc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.FC(F)(F)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C22H18F3N5O.C21H18ClN5O/c23-22(24,25)15-3-1-2-14(12-15)17-13-19(30-8-10-31-11-9-30)28-20-16(17)4-6-26-21(20)18-5-7-27-29-18;22-15-3-1-2-14(12-15)17-13-19(27-8-10-28-11-9-27)25-20-16(17)4-6-23-21(20)18-5-7-24-26-18/h1-7,12-13H,8-11H2,(H,27,29);1-7,12-13H,8-11H2,(H,24,26)
InChIKeyRPAGGHIKYQDRBX-UHFFFAOYSA-N
XLogP8.72
TPSA133.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.28
LogP ≤ 58.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine (CID 135313157) is 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine is Clc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.FC(F)(F)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is RPAGGHIKYQDRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O.C21H18ClN5O/c23-22(24,25)15-3-1-2-14(12-15)17-13-19(30-8-10-31-11-9-30)28-20-16(17)4-6-26-21(20)18-5-7-27-29-18;22-15-3-1-2-14(12-15)17-13-19(27-8-10-28-11-9-27)25-20-16(17)4-6-23-21(20)18-5-7-24-26-18/h1-7,12-13H,8-11H2,(H,27,29);1-7,12-13H,8-11H2,(H,24,26).
What are the key properties of 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine?
4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 817.28 g/mol, XLogP of 8.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).