(R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C30H39N7O3S — CID 170682982

About (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 170682982) has the molecular formula C30H39N7O3S and a molecular weight of 577.76 g/mol. Its IUPAC name is (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 170682982
• Molecular Formula: C30H39N7O3S
• Molecular Weight: 577.76 g/mol
• Exact Mass: 577.28
• IUPAC Name: (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: Cc1nc(N2CCC3(CC2)Cc2ccccc2C3N[S@](=O)C(C)(C)C)c(CO)nc1C(=O)N1CCCn2nccc21
• InChI: InChI=1S/C30H39N7O3S/c1-20-25(28(39)36-14-7-15-37-24(36)10-13-31-37)33-23(19-38)27(32-20)35-16-11-30(12-17-35)18-21-8-5-6-9-22(21)26(30)34-41(40)29(2,3)4/h5-6,8-10,13,26,34,38H,7,11-12,14-19H2,1-4H3/t26?,41-/m1/s1
• InChIKey: QASDWYSMPCALIK-LPJXJIJVSA-N
• XLogP: 3.46
• TPSA: 116.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.76
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 170682982) is (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is Cc1nc(N2CCC3(CC2)Cc2ccccc2C3N[S@](=O)C(C)(C)C)c(CO)nc1C(=O)N1CCCn2nccc21.

What is the InChIKey of (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is QASDWYSMPCALIK-LPJXJIJVSA-N. The full InChI is InChI=1S/C30H39N7O3S/c1-20-25(28(39)36-14-7-15-37-24(36)10-13-31-37)33-23(19-38)27(32-20)35-16-11-30(12-17-35)18-21-8-5-6-9-22(21)26(30)34-41(40)29(2,3)4/h5-6,8-10,13,26,34,38H,7,11-12,14-19H2,1-4H3/t26?,41-/m1/s1.

What are the key properties of (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 577.76 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1'-[5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170682982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).