[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium

C19H22N7OS+ — CID 59604043

About [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium

[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium (PubChem CID 59604043) has the molecular formula C19H22N7OS+ and a molecular weight of 396.50 g/mol. Its IUPAC name is [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium.

Molecular Properties

• Compound Name: [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
• PubChem CID: 59604043
• Molecular Formula: C19H22N7OS+
• Molecular Weight: 396.50 g/mol
• Exact Mass: 396.16
• IUPAC Name: [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
• SMILES: Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(C)(C)[NH3+])c4)cnn3c2)cn1
• InChI: InChI=1S/C19H21N7OS/c1-19(2,20)11-22-18(27)16-4-12(10-28-16)15-7-24-26-9-13(5-21-17(15)26)14-6-23-25(3)8-14/h4-10H,11,20H2,1-3H3,(H,22,27)/p+1
• InChIKey: MFAKFHAOIPUTGP-UHFFFAOYSA-O
• XLogP: 1.61
• TPSA: 104.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.50
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium?

The IUPAC name of [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium (CID 59604043) is [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium.

What is the SMILES notation for [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium?

The canonical SMILES for [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium is Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(C)(C)[NH3+])c4)cnn3c2)cn1.

What is the InChIKey of [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium?

The InChIKey is MFAKFHAOIPUTGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N7OS/c1-19(2,20)11-22-18(27)16-4-12(10-28-16)15-7-24-26-9-13(5-21-17(15)26)14-6-23-25(3)8-14/h4-10H,11,20H2,1-3H3,(H,22,27)/p+1.

What are the key properties of [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium?

[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium has a molecular weight of 396.50 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium is sourced from PubChem (CID 59604043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).