1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol

C24H27F3N6O3 — CID 118869590

IUPAC1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol
SMILESOC1(C(F)(F)F)CN(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)C1
InChIInChI=1S/C24H27F3N6O3/c25-24(26,27)23(34)14-32(15-23)18-13-19(31-8-11-35-12-9-31)30-21-16(18)4-6-28-22(21)17-5-7-29-33(17)20-3-1-2-10-36-20/h4-7,13,20,34H,1-3,8-12,14-15H2
InChIKeyRZKRFYYJVQJNON-UHFFFAOYSA-N
MW504.51 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol

1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 118869590) has the molecular formula C24H27F3N6O3 and a molecular weight of 504.51 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol
PubChem CID118869590
Molecular FormulaC24H27F3N6O3
Molecular Weight504.51 g/mol
Exact Mass504.21
IUPAC Name1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol
SMILESOC1(C(F)(F)F)CN(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)C1
InChIInChI=1S/C24H27F3N6O3/c25-24(26,27)23(34)14-32(15-23)18-13-19(31-8-11-35-12-9-31)30-21-16(18)4-6-28-22(21)17-5-7-29-33(17)20-3-1-2-10-36-20/h4-7,13,20,34H,1-3,8-12,14-15H2
InChIKeyRZKRFYYJVQJNON-UHFFFAOYSA-N
XLogP3.14
TPSA88.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol (CID 118869590) is 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol is OC1(C(F)(F)F)CN(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)C1.
What is the InChIKey of 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is RZKRFYYJVQJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O3/c25-24(26,27)23(34)14-32(15-23)18-13-19(31-8-11-35-12-9-31)30-21-16(18)4-6-28-22(21)17-5-7-29-33(17)20-3-1-2-10-36-20/h4-7,13,20,34H,1-3,8-12,14-15H2.
What are the key properties of 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol?
1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 504.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 118869590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).