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

C25H31N9O2 — CID 168968580

IUPAC4-N-cyclohexyl-3-(1H-imidazol-5-yl)-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(-c3cnc[nH]3)[nH]nc2n1
InChIInChI=1S/C25H31N9O2/c1-35-20-13-17(34-9-11-36-12-10-34)7-8-18(20)29-25-30-23(28-16-5-3-2-4-6-16)21-22(19-14-26-15-27-19)32-33-24(21)31-25/h7-8,13-16H,2-6,9-12H2,1H3,(H,26,27)(H3,28,29,30,31,32,33)
InChIKeyQETMKCPHVWLATQ-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.08
Rot. Bonds7

About 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

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 (PubChem CID 168968580) has the molecular formula C25H31N9O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-N-cyclohexyl-3-(1H-imidazol-5-yl)-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID168968580
Molecular FormulaC25H31N9O2
Molecular Weight489.58 g/mol
Exact Mass489.26
IUPAC Name4-N-cyclohexyl-3-(1H-imidazol-5-yl)-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(-c3cnc[nH]3)[nH]nc2n1
InChIInChI=1S/C25H31N9O2/c1-35-20-13-17(34-9-11-36-12-10-34)7-8-18(20)29-25-30-23(28-16-5-3-2-4-6-16)21-22(19-14-26-15-27-19)32-33-24(21)31-25/h7-8,13-16H,2-6,9-12H2,1H3,(H,26,27)(H3,28,29,30,31,32,33)
InChIKeyQETMKCPHVWLATQ-UHFFFAOYSA-N
XLogP4.08
TPSA128.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;hydrochloride
CID 91895225
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 70692558
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-(2-fluoro-4-morpholin-4-ylphenyl)-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 59591845
4-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 166631950
[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 70688375
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
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
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68749690
4-N-cyclopentyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164996896

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(-c3cnc[nH]3)[nH]nc2n1.
What is the InChIKey of 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?
The InChIKey is QETMKCPHVWLATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O2/c1-35-20-13-17(34-9-11-36-12-10-34)7-8-18(20)29-25-30-23(28-16-5-3-2-4-6-16)21-22(19-14-26-15-27-19)32-33-24(21)31-25/h7-8,13-16H,2-6,9-12H2,1H3,(H,26,27)(H3,28,29,30,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 489.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168968580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).