N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

C26H34N6O4S — CID 123137883

About N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (PubChem CID 123137883) has the molecular formula C26H34N6O4S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
• PubChem CID: 123137883
• Molecular Formula: C26H34N6O4S
• Molecular Weight: 526.66 g/mol
• Exact Mass: 526.24
• IUPAC Name: N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
• SMILES: Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc(N4CCC(CO)C4)c(C)cn3n2)c1
• InChI: InChI=1S/C26H34N6O4S/c1-17-7-8-21(29-37(3,35)36)20(12-17)26(34)31-10-5-4-6-23(31)22-13-24-27-25(18(2)14-32(24)28-22)30-11-9-19(15-30)16-33/h7-8,12-14,19,23,29,33H,4-6,9-11,15-16H2,1-3H3
• InChIKey: ZODOUICNWTXMFZ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 120.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.66
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

The IUPAC name of N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (CID 123137883) is N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

What is the SMILES notation for N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

The canonical SMILES for N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc(N4CCC(CO)C4)c(C)cn3n2)c1.

What is the InChIKey of N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

The InChIKey is ZODOUICNWTXMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4S/c1-17-7-8-21(29-37(3,35)36)20(12-17)26(34)31-10-5-4-6-23(31)22-13-24-27-25(18(2)14-32(24)28-22)30-11-9-19(15-30)16-33/h7-8,12-14,19,23,29,33H,4-6,9-11,15-16H2,1-3H3.

What are the key properties of N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?

N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 526.66 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 123137883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).