2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H27N7 — CID 95800811

About 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95800811) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 95800811
• Molecular Formula: C20H27N7
• Molecular Weight: 365.49 g/mol
• Exact Mass: 365.23
• IUPAC Name: 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: C=CCn1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)n1
• InChI: InChI=1S/C20H27N7/c1-4-7-26-13-17(15(3)24-26)12-25-8-5-6-16(11-25)18-10-19(21)27-20(22-18)9-14(2)23-27/h4,9-10,13,16H,1,5-8,11-12,21H2,2-3H3/t16-/m1/s1
• InChIKey: KETOUXISYSHMJZ-MRXNPFEDSA-N
• XLogP: 2.69
• TPSA: 77.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.49
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95800811) is 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is C=CCn1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)n1.

What is the InChIKey of 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is KETOUXISYSHMJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N7/c1-4-7-26-13-17(15(3)24-26)12-25-8-5-6-16(11-25)18-10-19(21)27-20(22-18)9-14(2)23-27/h4,9-10,13,16H,1,5-8,11-12,21H2,2-3H3/t16-/m1/s1.

What are the key properties of 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95800811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).