1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

C24H37N9O — CID 142616247

IUPAC1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCCC(C)n1cc(Nc2nc(NC3CCC(N4CCOCC4)CC3)c3c(cnn3C)n2)cn1
InChIInChI=1S/C24H37N9O/c1-4-5-17(2)33-16-19(14-26-33)28-24-29-21-15-25-31(3)22(21)23(30-24)27-18-6-8-20(9-7-18)32-10-12-34-13-11-32/h14-18,20H,4-13H2,1-3H3,(H2,27,28,29,30)
InChIKeyYSWMUSVWONCVTG-UHFFFAOYSA-N
MW467.62 g/mol
LogP3.72
Rot. Bonds8

About 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 142616247) has the molecular formula C24H37N9O and a molecular weight of 467.62 g/mol. Its IUPAC name is 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID142616247
Molecular FormulaC24H37N9O
Molecular Weight467.62 g/mol
Exact Mass467.31
IUPAC Name1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCCC(C)n1cc(Nc2nc(NC3CCC(N4CCOCC4)CC3)c3c(cnn3C)n2)cn1
InChIInChI=1S/C24H37N9O/c1-4-5-17(2)33-16-19(14-26-33)28-24-29-21-15-25-31(3)22(21)23(30-24)27-18-6-8-20(9-7-18)32-10-12-34-13-11-32/h14-18,20H,4-13H2,1-3H3,(H2,27,28,29,30)
InChIKeyYSWMUSVWONCVTG-UHFFFAOYSA-N
XLogP3.72
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 142616247) is 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is CCCC(C)n1cc(Nc2nc(NC3CCC(N4CCOCC4)CC3)c3c(cnn3C)n2)cn1.
What is the InChIKey of 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is YSWMUSVWONCVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N9O/c1-4-5-17(2)33-16-19(14-26-33)28-24-29-21-15-25-31(3)22(21)23(30-24)27-18-6-8-20(9-7-18)32-10-12-34-13-11-32/h14-18,20H,4-13H2,1-3H3,(H2,27,28,29,30).
What are the key properties of 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 467.62 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-pentan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 142616247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).