1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol

C25H35N7O — CID 71099864

IUPAC1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
SMILESCCCc1cnc(C)c(-c2cc3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)n3n2)n1
InChIInChI=1S/C25H35N7O/c1-4-7-19-16-26-17(2)24(28-19)20-14-22-29-21(31-12-5-6-13-31)15-23(32(22)30-20)27-18-8-10-25(3,33)11-9-18/h14-16,18,27,33H,4-13H2,1-3H3
InChIKeyKKNMPUVRGGFOGU-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.15
Rot. Bonds6

About 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol

1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol (PubChem CID 71099864) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
PubChem CID71099864
Molecular FormulaC25H35N7O
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC Name1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
SMILESCCCc1cnc(C)c(-c2cc3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)n3n2)n1
InChIInChI=1S/C25H35N7O/c1-4-7-19-16-26-17(2)24(28-19)20-14-22-29-21(31-12-5-6-13-31)15-23(32(22)30-20)27-18-8-10-25(3,33)11-9-18/h14-16,18,27,33H,4-13H2,1-3H3
InChIKeyKKNMPUVRGGFOGU-UHFFFAOYSA-N
XLogP4.15
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-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-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol (CID 71099864) is 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-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-6-propylpyrazin-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-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol is CCCc1cnc(C)c(-c2cc3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)n3n2)n1.
What is the InChIKey of 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol?
The InChIKey is KKNMPUVRGGFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O/c1-4-7-19-16-26-17(2)24(28-19)20-14-22-29-21(31-12-5-6-13-31)15-23(32(22)30-20)27-18-8-10-25(3,33)11-9-18/h14-16,18,27,33H,4-13H2,1-3H3.
What are the key properties of 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol?
1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol has a molecular weight of 449.60 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71099864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).