(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C21H25N5O2 — CID 118869550

IUPAC(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCOCC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N5O2/c1-14-13-28-11-8-26(14)19-12-17(15-4-9-27-10-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyQCOPMJSHRBYTRK-CQSZACIVSA-N
MW379.46 g/mol
LogP3.14
Rot. Bonds3

About (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869550) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869550
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCOCC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N5O2/c1-14-13-28-11-8-26(14)19-12-17(15-4-9-27-10-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyQCOPMJSHRBYTRK-CQSZACIVSA-N
XLogP3.14
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

Elimusertib
CID 118869362
2-(1-{[2-(2h-Indazol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378156
(S)-1-(6-(3-methylpiperazin-1-yl)pyridin-2-yl)-6-(5-(oxetan-3-yl)pyridin-3-yl)-1H-pyrazolo[4,3-c]pyridine
CID 72715135
N-(oxan-4-yl)-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
CID 46899554
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253554
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(tetrahydro-2H-pyran-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254005
5-(6-methylpyrazin-2-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254178
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720891
US10023576, Example 63
CID 130362847

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869550) is (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(C2CCOCC2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is QCOPMJSHRBYTRK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-13-28-11-8-26(14)19-12-17(15-4-9-27-10-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 379.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).