(3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

C27H28FN5O2 — CID 118869157

IUPAC(3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H28FN5O2/c1-18-17-34-15-13-32(18)24-16-21(19-6-2-3-7-22(19)28)20-9-11-29-27(26(20)31-24)23-10-12-30-33(23)25-8-4-5-14-35-25/h2-3,6-7,9-12,16,18,25H,4-5,8,13-15,17H2,1H3/t18-,25?/m1/s1
InChIKeyFMHBZQUWVMCWLY-YDONVPIESA-N
MW473.55 g/mol
LogP5.22
Rot. Bonds4

About (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869157) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869157
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name(3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H28FN5O2/c1-18-17-34-15-13-32(18)24-16-21(19-6-2-3-7-22(19)28)20-9-11-29-27(26(20)31-24)23-10-12-30-33(23)25-8-4-5-14-35-25/h2-3,6-7,9-12,16,18,25H,4-5,8,13-15,17H2,1H3/t18-,25?/m1/s1
InChIKeyFMHBZQUWVMCWLY-YDONVPIESA-N
XLogP5.22
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869157) is (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccccc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is FMHBZQUWVMCWLY-YDONVPIESA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-18-17-34-15-13-32(18)24-16-21(19-6-2-3-7-22(19)28)20-9-11-29-27(26(20)31-24)23-10-12-30-33(23)25-8-4-5-14-35-25/h2-3,6-7,9-12,16,18,25H,4-5,8,13-15,17H2,1H3/t18-,25?/m1/s1.
What are the key properties of (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 473.55 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-fluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).