4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine

C25H34N10O2 — CID 175908407

IUPAC4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1NC1=NC(N)(C2CCCCC2)c2c(n[nH]c2-c2nncn2C)N1
InChIInChI=1S/C25H34N10O2/c1-34-15-27-33-23(34)21-20-22(32-31-21)29-24(30-25(20,26)16-6-4-3-5-7-16)28-18-9-8-17(14-19(18)36-2)35-10-12-37-13-11-35/h8-9,14-16H,3-7,10-13,26H2,1-2H3,(H3,28,29,30,31,32)
InChIKeyIPWHJYGZYQEHKW-UHFFFAOYSA-N
MW506.62 g/mol
LogP2.64
Rot. Bonds5

About 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine

4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 175908407) has the molecular formula C25H34N10O2 and a molecular weight of 506.62 g/mol. Its IUPAC name is 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID175908407
Molecular FormulaC25H34N10O2
Molecular Weight506.62 g/mol
Exact Mass506.29
IUPAC Name4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1NC1=NC(N)(C2CCCCC2)c2c(n[nH]c2-c2nncn2C)N1
InChIInChI=1S/C25H34N10O2/c1-34-15-27-33-23(34)21-20-22(32-31-21)29-24(30-25(20,26)16-6-4-3-5-7-16)28-18-9-8-17(14-19(18)36-2)35-10-12-37-13-11-35/h8-9,14-16H,3-7,10-13,26H2,1-2H3,(H3,28,29,30,31,32)
InChIKeyIPWHJYGZYQEHKW-UHFFFAOYSA-N
XLogP2.64
TPSA143.53 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.62
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 175908426
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
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
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
6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 175908410
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-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 175908419
4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 166865553
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine
CID 58976139
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976216
2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine
CID 58155079

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 175908407) is 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine is COc1cc(N2CCOCC2)ccc1NC1=NC(N)(C2CCCCC2)c2c(n[nH]c2-c2nncn2C)N1.
What is the InChIKey of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is IPWHJYGZYQEHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N10O2/c1-34-15-27-33-23(34)21-20-22(32-31-21)29-24(30-25(20,26)16-6-4-3-5-7-16)28-18-9-8-17(14-19(18)36-2)35-10-12-37-13-11-35/h8-9,14-16H,3-7,10-13,26H2,1-2H3,(H3,28,29,30,31,32).
What are the key properties of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 506.62 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(4-methyl-1,2,4-triazol-3-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 175908407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).