2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one

C46H47N11O4 — CID 135313822

IUPAC2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(-c2ccc[nH]c2=O)c2ccnc(-c3ccn[nH]3)c2n1.C[C@@H]1COCCN1c1cc(-c2cccc(C(C)(C)O)c2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C25H27N5O2.C21H20N6O2/c1-16-15-32-12-11-30(16)22-14-20(17-5-4-6-18(13-17)25(2,3)31)19-7-9-26-24(23(19)28-22)21-8-10-27-29-21;1-13-12-29-10-9-27(13)18-11-16(15-3-2-6-23-21(15)28)14-4-7-22-20(19(14)25-18)17-5-8-24-26-17/h4-10,13-14,16,31H,11-12,15H2,1-3H3,(H,27,29);2-8,11,13H,9-10,12H2,1H3,(H,23,28)(H,24,26)/t16-;13-/m11/s1
InChIKeyQCXXCUBUUIVEDB-IRFRCPDASA-N
MW817.96 g/mol
LogP6.74
Rot. Bonds7

About 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one

2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one (PubChem CID 135313822) has the molecular formula C46H47N11O4 and a molecular weight of 817.96 g/mol. Its IUPAC name is 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
PubChem CID135313822
Molecular FormulaC46H47N11O4
Molecular Weight817.96 g/mol
Exact Mass817.38
IUPAC Name2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(-c2ccc[nH]c2=O)c2ccnc(-c3ccn[nH]3)c2n1.C[C@@H]1COCCN1c1cc(-c2cccc(C(C)(C)O)c2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C25H27N5O2.C21H20N6O2/c1-16-15-32-12-11-30(16)22-14-20(17-5-4-6-18(13-17)25(2,3)31)19-7-9-26-24(23(19)28-22)21-8-10-27-29-21;1-13-12-29-10-9-27(13)18-11-16(15-3-2-6-23-21(15)28)14-4-7-22-20(19(14)25-18)17-5-8-24-26-17/h4-10,13-14,16,31H,11-12,15H2,1-3H3,(H,27,29);2-8,11,13H,9-10,12H2,1H3,(H,23,28)(H,24,26)/t16-;13-/m11/s1
InChIKeyQCXXCUBUUIVEDB-IRFRCPDASA-N
XLogP6.74
TPSA186.95 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.96
LogP ≤ 56.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one 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 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one (CID 135313822) is 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one is C[C@@H]1COCCN1c1cc(-c2ccc[nH]c2=O)c2ccnc(-c3ccn[nH]3)c2n1.C[C@@H]1COCCN1c1cc(-c2cccc(C(C)(C)O)c2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one?
The InChIKey is QCXXCUBUUIVEDB-IRFRCPDASA-N. The full InChI is InChI=1S/C25H27N5O2.C21H20N6O2/c1-16-15-32-12-11-30(16)22-14-20(17-5-4-6-18(13-17)25(2,3)31)19-7-9-26-24(23(19)28-22)21-8-10-27-29-21;1-13-12-29-10-9-27(13)18-11-16(15-3-2-6-23-21(15)28)14-4-7-22-20(19(14)25-18)17-5-8-24-26-17/h4-10,13-14,16,31H,11-12,15H2,1-3H3,(H,27,29);2-8,11,13H,9-10,12H2,1H3,(H,23,28)(H,24,26)/t16-;13-/m11/s1.
What are the key properties of 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one?
2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one has a molecular weight of 817.96 g/mol, XLogP of 6.74, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]propan-2-ol;3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135313822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).