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

C27H27F2N5O2 — CID 118890789

IUPAC(3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(F)cc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H27F2N5O2/c1-17-16-35-13-11-33(17)24-15-21(19-6-5-18(28)14-22(19)29)20-7-9-30-27(26(20)32-24)23-8-10-31-34(23)25-4-2-3-12-36-25/h5-10,14-15,17,25H,2-4,11-13,16H2,1H3/t17-,25?/m1/s1
InChIKeySBRYLTPBYIYCLR-SMFUYQKNSA-N
MW491.54 g/mol
LogP5.36
Rot. Bonds4

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

(3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118890789) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118890789
Molecular FormulaC27H27F2N5O2
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name(3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(F)cc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H27F2N5O2/c1-17-16-35-13-11-33(17)24-15-21(19-6-5-18(28)14-22(19)29)20-7-9-30-27(26(20)32-24)23-8-10-31-34(23)25-4-2-3-12-36-25/h5-10,14-15,17,25H,2-4,11-13,16H2,1H3/t17-,25?/m1/s1
InChIKeySBRYLTPBYIYCLR-SMFUYQKNSA-N
XLogP5.36
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118890789) is (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccc(F)cc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is SBRYLTPBYIYCLR-SMFUYQKNSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-17-16-35-13-11-33(17)24-15-21(19-6-5-18(28)14-22(19)29)20-7-9-30-27(26(20)32-24)23-8-10-31-34(23)25-4-2-3-12-36-25/h5-10,14-15,17,25H,2-4,11-13,16H2,1H3/t17-,25?/m1/s1.
What are the key properties of (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 491.54 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2,4-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118890789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).