1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one

C19H29N5O3 — CID 16881738

IUPAC1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H29N5O3/c1-12-10-22(11-13(2)27-12)16(25)7-8-23-14(3)21-17-15(18(23)26)9-20-24(17)19(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3
InChIKeySZRJNEXVMYPEMH-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.68
Rot. Bonds3

About 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 16881738) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID16881738
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H29N5O3/c1-12-10-22(11-13(2)27-12)16(25)7-8-23-14(3)21-17-15(18(23)26)9-20-24(17)19(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3
InChIKeySZRJNEXVMYPEMH-UHFFFAOYSA-N
XLogP1.68
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-tert-butyl-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881743
1-tert-butyl-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881745
5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882516
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide
CID 16881771
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethyl-N-(3-methylphenyl)propanamide
CID 16881802
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16881898
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-phenoxyphenyl)propanamide
CID 16881840
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide
CID 16881880
1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide
CID 16882684
6-tert-butyl-12-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 16858867
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16882909
1-(2,6-dimethylmorpholin-4-yl)-3-(7-methylindazol-1-yl)propan-1-one
CID 75767441

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 16881738) is 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2C(C)(C)C)c(=O)n1CCC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SZRJNEXVMYPEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12-10-22(11-13(2)27-12)16(25)7-8-23-14(3)21-17-15(18(23)26)9-20-24(17)19(4,5)6/h9,12-13H,7-8,10-11H2,1-6H3.
What are the key properties of 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 375.47 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 16881738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).