carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C25H32N8O7S — CID 121408257

About carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 121408257) has the molecular formula C25H32N8O7S and a molecular weight of 588.65 g/mol. Its IUPAC name is carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 121408257
• Molecular Formula: C25H32N8O7S
• Molecular Weight: 588.65 g/mol
• Exact Mass: 588.21
• IUPAC Name: carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COCCOC1CCC(c2nc3c(-c4cnc(-c5ccn(C)n5)nc4)cnn3c(N)c2S(C)(=O)=O)CC1.O=C(O)O
• InChI: InChI=1S/C24H30N8O4S.CH2O3/c1-31-9-8-19(30-31)23-26-12-16(13-27-23)18-14-28-32-22(25)21(37(3,33)34)20(29-24(18)32)15-4-6-17(7-5-15)36-11-10-35-2;2-1(3)4/h8-9,12-15,17H,4-7,10-11,25H2,1-3H3;(H2,2,3,4)
• InChIKey: VXDLWCKYRIYENB-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 209.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.65
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 121408257) is carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is COCCOC1CCC(c2nc3c(-c4cnc(-c5ccn(C)n5)nc4)cnn3c(N)c2S(C)(=O)=O)CC1.O=C(O)O.

What is the InChIKey of carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is VXDLWCKYRIYENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O4S.CH2O3/c1-31-9-8-19(30-31)23-26-12-16(13-27-23)18-14-28-32-22(25)21(37(3,33)34)20(29-24(18)32)15-4-6-17(7-5-15)36-11-10-35-2;2-1(3)4/h8-9,12-15,17H,4-7,10-11,25H2,1-3H3;(H2,2,3,4).

What are the key properties of carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 588.65 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for carbonic acid;5-[4-(2-methoxyethoxy)cyclohexyl]-3-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 121408257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).