(3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C26H32N8O — CID 155376200

IUPAC(3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2ccn3CC2CNC2)n1
InChIInChI=1S/C26H32N8O/c1-16-15-35-10-9-34(16)23-11-22(24-17(2)31-32(4)18(24)3)29-25(30-23)20-5-7-28-26-21(20)6-8-33(26)14-19-12-27-13-19/h5-8,11,16,19,27H,9-10,12-15H2,1-4H3/t16-/m1/s1
InChIKeyCBZFBFBDLDTIOB-MRXNPFEDSA-N
MW472.60 g/mol
LogP2.96
Rot. Bonds5

About (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 155376200) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID155376200
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name(3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2ccn3CC2CNC2)n1
InChIInChI=1S/C26H32N8O/c1-16-15-35-10-9-34(16)23-11-22(24-17(2)31-32(4)18(24)3)29-25(30-23)20-5-7-28-26-21(20)6-8-33(26)14-19-12-27-13-19/h5-8,11,16,19,27H,9-10,12-15H2,1-4H3/t16-/m1/s1
InChIKeyCBZFBFBDLDTIOB-MRXNPFEDSA-N
XLogP2.96
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Related Compounds

2-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 155376228
(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376202
(3R)-4-[6-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 166042011
(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane
CID 167555090
(3R)-4-[6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane
CID 167532742
(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376186
(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376118
(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]morpholine
CID 155654954
1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrazole-5-carbaldehyde
CID 155654927
[4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 137418039
[1-[2-(1-but-3-ynylpyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-imino-methyl-oxo-λ6-sulfane
CID 172537295
tert-butyl 4-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 166041972

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 155376200) is (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is Cc1nn(C)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2ccn3CC2CNC2)n1.
What is the InChIKey of (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is CBZFBFBDLDTIOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H32N8O/c1-16-15-35-10-9-34(16)23-11-22(24-17(2)31-32(4)18(24)3)29-25(30-23)20-5-7-28-26-21(20)6-8-33(26)14-19-12-27-13-19/h5-8,11,16,19,27H,9-10,12-15H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 472.60 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-[1-(azetidin-3-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 155376200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).