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

C23H30N5O3P — CID 118869093

IUPAC(3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(P(C)(C)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C23H30N5O3P/c1-16-15-30-13-11-27(16)20-14-19(32(2,3)29)17-7-9-24-23(22(17)26-20)18-8-10-25-28(18)21-6-4-5-12-31-21/h7-10,14,16,21H,4-6,11-13,15H2,1-3H3/t16-,21?/m1/s1
InChIKeyATHBVKSYSMOCMS-UJONTBEJSA-N
MW455.50 g/mol
LogP3.67
Rot. Bonds4

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

(3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869093) has the molecular formula C23H30N5O3P and a molecular weight of 455.50 g/mol. Its IUPAC name is (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869093
Molecular FormulaC23H30N5O3P
Molecular Weight455.50 g/mol
Exact Mass455.21
IUPAC Name(3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(P(C)(C)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C23H30N5O3P/c1-16-15-30-13-11-27(16)20-14-19(32(2,3)29)17-7-9-24-23(22(17)26-20)18-8-10-25-28(18)21-6-4-5-12-31-21/h7-10,14,16,21H,4-6,11-13,15H2,1-3H3/t16-,21?/m1/s1
InChIKeyATHBVKSYSMOCMS-UJONTBEJSA-N
XLogP3.67
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869093) is (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(P(C)(C)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is ATHBVKSYSMOCMS-UJONTBEJSA-N. The full InChI is InChI=1S/C23H30N5O3P/c1-16-15-30-13-11-27(16)20-14-19(32(2,3)29)17-7-9-24-23(22(17)26-20)18-8-10-25-28(18)21-6-4-5-12-31-21/h7-10,14,16,21H,4-6,11-13,15H2,1-3H3/t16-,21?/m1/s1.
What are the key properties of (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 455.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-dimethylphosphoryl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).