N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol

C35H47FN10O4S — CID 145317221

About N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol

N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol (PubChem CID 145317221) has the molecular formula C35H47FN10O4S and a molecular weight of 722.89 g/mol. Its IUPAC name is N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol.

Molecular Properties

• Compound Name: N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol
• PubChem CID: 145317221
• Molecular Formula: C35H47FN10O4S
• Molecular Weight: 722.89 g/mol
• Exact Mass: 722.35
• IUPAC Name: N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol
• SMILES: CSc1ccc(C)c(-c2nn(CC(=O)N3CCN(CC4CCN(CC(=O)N(C)C)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.OCF
• InChI: InChI=1S/C34H44N10O3S.CH3FO/c1-24-6-7-26(48-4)18-27(24)32-29(37-34(47)28-19-36-44-11-5-10-35-33(28)44)21-43(38-32)23-31(46)42-16-14-41(15-17-42)20-25-8-12-40(13-9-25)22-30(45)39(2)3;2-1-3/h5-7,10-11,18-19,21,25H,8-9,12-17,20,22-23H2,1-4H3,(H,37,47);3H,1H2
• InChIKey: JKPOVZYAJRDQFX-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 144.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.89
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol?

The IUPAC name of N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol (CID 145317221) is N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol.

What is the SMILES notation for N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol?

The canonical SMILES for N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol is CSc1ccc(C)c(-c2nn(CC(=O)N3CCN(CC4CCN(CC(=O)N(C)C)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.OCF.

What is the InChIKey of N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol?

The InChIKey is JKPOVZYAJRDQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N10O3S.CH3FO/c1-24-6-7-26(48-4)18-27(24)32-29(37-34(47)28-19-36-44-11-5-10-35-33(28)44)21-43(38-32)23-31(46)42-16-14-41(15-17-42)20-25-8-12-40(13-9-25)22-30(45)39(2)3;2-1-3/h5-7,10-11,18-19,21,25H,8-9,12-17,20,22-23H2,1-4H3,(H,37,47);3H,1H2.

What are the key properties of N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol?

N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol has a molecular weight of 722.89 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(2-methyl-5-methylsulfanylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;fluoromethanol is sourced from PubChem (CID 145317221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).