4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C29H35N7O4 — CID 175338912

IUPAC4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2[nH]nc3nc(Nc4ccccc4N4CCOC(OC)C4)nc(NC4CCCC4)c23)cc1OC
InChIInChI=1S/C29H35N7O4/c1-37-22-13-12-18(16-23(22)38-2)26-25-27(30-19-8-4-5-9-19)32-29(33-28(25)35-34-26)31-20-10-6-7-11-21(20)36-14-15-40-24(17-36)39-3/h6-7,10-13,16,19,24H,4-5,8-9,14-15,17H2,1-3H3,(H3,30,31,32,33,34,35)
InChIKeyRIVXWUSVUSSABE-UHFFFAOYSA-N
MW545.64 g/mol
LogP4.94
Rot. Bonds9

About 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 175338912) has the molecular formula C29H35N7O4 and a molecular weight of 545.64 g/mol. Its IUPAC name is 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID175338912
Molecular FormulaC29H35N7O4
Molecular Weight545.64 g/mol
Exact Mass545.28
IUPAC Name4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2[nH]nc3nc(Nc4ccccc4N4CCOC(OC)C4)nc(NC4CCCC4)c23)cc1OC
InChIInChI=1S/C29H35N7O4/c1-37-22-13-12-18(16-23(22)38-2)26-25-27(30-19-8-4-5-9-19)32-29(33-28(25)35-34-26)31-20-10-6-7-11-21(20)36-14-15-40-24(17-36)39-3/h6-7,10-13,16,19,24H,4-5,8-9,14-15,17H2,1-3H3,(H3,30,31,32,33,34,35)
InChIKeyRIVXWUSVUSSABE-UHFFFAOYSA-N
XLogP4.94
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(oxan-4-yl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168968577
4-N-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168968590
4-N-cyclohexyl-3-(1H-imidazol-5-yl)-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168968580
4-[[4-(cyclohexylamino)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-3-methoxy-N-methylbenzamide
CID 168968587
4-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)-3-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 59591780
4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
4-N-cyclopentyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164996896
4-N-cyclopropyl-6-N-(2-fluoro-4-morpholin-4-ylphenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 59591845
4-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59591709
6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
CID 91243419
1-[3-[[3-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 86764843
4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164959318

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 175338912) is 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is COc1ccc(-c2[nH]nc3nc(Nc4ccccc4N4CCOC(OC)C4)nc(NC4CCCC4)c23)cc1OC.
What is the InChIKey of 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is RIVXWUSVUSSABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O4/c1-37-22-13-12-18(16-23(22)38-2)26-25-27(30-19-8-4-5-9-19)32-29(33-28(25)35-34-26)31-20-10-6-7-11-21(20)36-14-15-40-24(17-36)39-3/h6-7,10-13,16,19,24H,4-5,8-9,14-15,17H2,1-3H3,(H3,30,31,32,33,34,35).
What are the key properties of 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 545.64 g/mol, XLogP of 4.94, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-3-(3,4-dimethoxyphenyl)-6-N-[2-(2-methoxymorpholin-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 175338912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).