2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C19H24N6O — CID 56882232

IUPAC2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCCC1(CC)CN(c2nc(-c3ccncc3)nc3c2cnn3C)CCO1
InChIInChI=1S/C19H24N6O/c1-4-19(5-2)13-25(10-11-26-19)18-15-12-21-24(3)17(15)22-16(23-18)14-6-8-20-9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3
InChIKeyPWJSJXYUEOIMQU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.82
Rot. Bonds4

About 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 56882232) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID56882232
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCCC1(CC)CN(c2nc(-c3ccncc3)nc3c2cnn3C)CCO1
InChIInChI=1S/C19H24N6O/c1-4-19(5-2)13-25(10-11-26-19)18-15-12-21-24(3)17(15)22-16(23-18)14-6-8-20-9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3
InChIKeyPWJSJXYUEOIMQU-UHFFFAOYSA-N
XLogP2.82
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95729184
7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 70767539
3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 56900542
(3S,4S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
CID 56905445
4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95867255
2-[(2S)-1-(cyclopropylmethyl)-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769620
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255
4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 70702032
N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56909510
N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56911177
4'-(2-pyridin-4-ylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413278
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 56882232) is 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is CCC1(CC)CN(c2nc(-c3ccncc3)nc3c2cnn3C)CCO1.
What is the InChIKey of 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is PWJSJXYUEOIMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-19(5-2)13-25(10-11-26-19)18-15-12-21-24(3)17(15)22-16(23-18)14-6-8-20-9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3.
What are the key properties of 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 352.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 56882232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).