1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol

C25H33N7O2 — CID 53374664

About 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol

1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol (PubChem CID 53374664) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
• PubChem CID: 53374664
• Molecular Formula: C25H33N7O2
• Molecular Weight: 463.59 g/mol
• Exact Mass: 463.27
• IUPAC Name: 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
• SMILES: Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)n3n1)CCCO2
• InChI: InChI=1S/C25H33N7O2/c1-16-23(28-18-6-5-13-34-24(18)26-16)19-14-21-29-20(31-11-3-4-12-31)15-22(32(21)30-19)27-17-7-9-25(2,33)10-8-17/h14-15,17,27,33H,3-13H2,1-2H3
• InChIKey: RZYYRJGOHIPZEQ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 100.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.59
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol?

The IUPAC name of 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol (CID 53374664) is 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol is Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)n3n1)CCCO2.

What is the InChIKey of 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol?

The InChIKey is RZYYRJGOHIPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16-23(28-18-6-5-13-34-24(18)26-16)19-14-21-29-20(31-11-3-4-12-31)15-22(32(21)30-19)27-17-7-9-25(2,33)10-8-17/h14-15,17,27,33H,3-13H2,1-2H3.

What are the key properties of 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol?

1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol has a molecular weight of 463.59 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[[2-(3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 53374664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).