cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid

C34H50N7O9P — CID 169141972

About cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid

cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid (PubChem CID 169141972) has the molecular formula C34H50N7O9P and a molecular weight of 731.79 g/mol. Its IUPAC name is cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid.

Molecular Properties

• Compound Name: cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid
• PubChem CID: 169141972
• Molecular Formula: C34H50N7O9P
• Molecular Weight: 731.79 g/mol
• Exact Mass: 731.34
• IUPAC Name: cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid
• SMILES: C1CCCC1.CC(C)NC(=O)O.COCc1cc2c(Nc3ccnn3COC(=O)CC(C)(C)c3c(C)cc(C)cc3OP(=O)(O)O)nccn2n1
• InChI: InChI=1S/C25H31N6O7P.C5H10.C4H9NO2/c1-16-10-17(2)23(20(11-16)38-39(33,34)35)25(3,4)13-22(32)37-15-31-21(6-7-27-31)28-24-19-12-18(14-36-5)29-30(19)9-8-26-24;1-2-4-5-3-1;1-3(2)5-4(6)7/h6-12H,13-15H2,1-5H3,(H,26,28)(H2,33,34,35);1-5H2;3,5H,1-2H3,(H,6,7)
• InChIKey: RAOQNHIJVLNEAY-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 211.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	731.79
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid?

The IUPAC name of cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid (CID 169141972) is cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid.

What is the SMILES notation for cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid?

The canonical SMILES for cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid is C1CCCC1.CC(C)NC(=O)O.COCc1cc2c(Nc3ccnn3COC(=O)CC(C)(C)c3c(C)cc(C)cc3OP(=O)(O)O)nccn2n1.

What is the InChIKey of cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid?

The InChIKey is RAOQNHIJVLNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N6O7P.C5H10.C4H9NO2/c1-16-10-17(2)23(20(11-16)38-39(33,34)35)25(3,4)13-22(32)37-15-31-21(6-7-27-31)28-24-19-12-18(14-36-5)29-30(19)9-8-26-24;1-2-4-5-3-1;1-3(2)5-4(6)7/h6-12H,13-15H2,1-5H3,(H,26,28)(H2,33,34,35);1-5H2;3,5H,1-2H3,(H,6,7).

What are the key properties of cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid?

cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid has a molecular weight of 731.79 g/mol, XLogP of 6.39, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentane;[5-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-1-yl]methyl 3-(2,4-dimethyl-6-phosphonooxyphenyl)-3-methylbutanoate;propan-2-ylcarbamic acid is sourced from PubChem (CID 169141972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).