4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C22H19F3N6O2 — CID 118869432

IUPAC4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ncc(C(F)(F)F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H19F3N6O2/c1-32-21-16(10-13(12-27-21)22(23,24)25)15-11-18(31-6-8-33-9-7-31)29-19-14(15)2-4-26-20(19)17-3-5-28-30-17/h2-5,10-12H,6-9H2,1H3,(H,28,30)
InChIKeyDENZDTPOPZXUKZ-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.95
Rot. Bonds4

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

4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869432) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869432
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC Name4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ncc(C(F)(F)F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H19F3N6O2/c1-32-21-16(10-13(12-27-21)22(23,24)25)15-11-18(31-6-8-33-9-7-31)29-19-14(15)2-4-26-20(19)17-3-5-28-30-17/h2-5,10-12H,6-9H2,1H3,(H,28,30)
InChIKeyDENZDTPOPZXUKZ-UHFFFAOYSA-N
XLogP3.95
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869432) is 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ncc(C(F)(F)F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is DENZDTPOPZXUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-32-21-16(10-13(12-27-21)22(23,24)25)15-11-18(31-6-8-33-9-7-31)29-19-14(15)2-4-26-20(19)17-3-5-28-30-17/h2-5,10-12H,6-9H2,1H3,(H,28,30).
What are the key properties of 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 456.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).