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

C22H25F2N5O3 — CID 118869481

IUPAC(3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C22H25F2N5O3/c1-14-13-30-11-9-28(14)18-12-17(32-22(23)24)15-5-7-25-21(20(15)27-18)16-6-8-26-29(16)19-4-2-3-10-31-19/h5-8,12,14,19,22H,2-4,9-11,13H2,1H3/t14-,19?/m1/s1
InChIKeyAMGJKFDAMHULKV-MJTSIZKDSA-N
MW445.47 g/mol
LogP4.02
Rot. Bonds5

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

(3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869481) has the molecular formula C22H25F2N5O3 and a molecular weight of 445.47 g/mol. Its IUPAC name is (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869481
Molecular FormulaC22H25F2N5O3
Molecular Weight445.47 g/mol
Exact Mass445.19
IUPAC Name(3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C22H25F2N5O3/c1-14-13-30-11-9-28(14)18-12-17(32-22(23)24)15-5-7-25-21(20(15)27-18)16-6-8-26-29(16)19-4-2-3-10-31-19/h5-8,12,14,19,22H,2-4,9-11,13H2,1H3/t14-,19?/m1/s1
InChIKeyAMGJKFDAMHULKV-MJTSIZKDSA-N
XLogP4.02
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869481) is (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is AMGJKFDAMHULKV-MJTSIZKDSA-N. The full InChI is InChI=1S/C22H25F2N5O3/c1-14-13-30-11-9-28(14)18-12-17(32-22(23)24)15-5-7-25-21(20(15)27-18)16-6-8-26-29(16)19-4-2-3-10-31-19/h5-8,12,14,19,22H,2-4,9-11,13H2,1H3/t14-,19?/m1/s1.
What are the key properties of (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 445.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(difluoromethoxy)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).