(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine

C21H20N6O — CID 95709255

IUPAC(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
SMILESCn1ncc2c(N3CCO[C@H](c4ccccc4)C3)nc(-c3cccnc3)nc21
InChIInChI=1S/C21H20N6O/c1-26-20-17(13-23-26)21(25-19(24-20)16-8-5-9-22-12-16)27-10-11-28-18(14-27)15-6-3-2-4-7-15/h2-9,12-13,18H,10-11,14H2,1H3/t18-/m0/s1
InChIKeyLXPVEHLTHIQAML-SFHVURJKSA-N
MW372.43 g/mol
LogP3.00
Rot. Bonds3

About (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine

(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine (PubChem CID 95709255) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine.

Molecular Properties

Compound Name(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
PubChem CID95709255
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
SMILESCn1ncc2c(N3CCO[C@H](c4ccccc4)C3)nc(-c3cccnc3)nc21
InChIInChI=1S/C21H20N6O/c1-26-20-17(13-23-26)21(25-19(24-20)16-8-5-9-22-12-16)27-10-11-28-18(14-27)15-6-3-2-4-7-15/h2-9,12-13,18H,10-11,14H2,1H3/t18-/m0/s1
InChIKeyLXPVEHLTHIQAML-SFHVURJKSA-N
XLogP3.00
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 56900542
2-(2-chlorophenyl)-4-(2-pyridin-3-ylquinazolin-4-yl)morpholine
CID 133289876
1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
CID 95730137
4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
CID 119039239
2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 86808286
(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 36726848
(2S)-2-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 95717258
1-ethyl-4-[(3S)-3-phenoxypyrrolidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
CID 155096536
2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine
CID 136545716
4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 70702032
2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 56882232
1-[4-[1-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-pyridin-3-ylurea
CID 25260600

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
The IUPAC name of (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine (CID 95709255) is (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine.
What is the SMILES notation for (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
The canonical SMILES for (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine is Cn1ncc2c(N3CCO[C@H](c4ccccc4)C3)nc(-c3cccnc3)nc21.
What is the InChIKey of (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
The InChIKey is LXPVEHLTHIQAML-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N6O/c1-26-20-17(13-23-26)21(25-19(24-20)16-8-5-9-22-12-16)27-10-11-28-18(14-27)15-6-3-2-4-7-15/h2-9,12-13,18H,10-11,14H2,1H3/t18-/m0/s1.
What are the key properties of (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine has a molecular weight of 372.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine is sourced from PubChem (CID 95709255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).