N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H31N9O3S — CID 66556293

About N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556293) has the molecular formula C25H31N9O3S and a molecular weight of 537.65 g/mol. Its IUPAC name is N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 66556293
• Molecular Formula: C25H31N9O3S
• Molecular Weight: 537.65 g/mol
• Exact Mass: 537.23
• IUPAC Name: N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(CN)c1ccc(-n2nc(C3CCN(S(C)(=O)=O)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
• InChI: InChI=1S/C25H31N9O3S/c1-25(2,16-26)18-5-6-21(28-14-18)34-22(30-24(35)19-15-29-33-10-4-9-27-23(19)33)13-20(31-34)17-7-11-32(12-8-17)38(3,36)37/h4-6,9-10,13-15,17H,7-8,11-12,16,26H2,1-3H3,(H,30,35)
• InChIKey: LQHVKBWKLFXDSF-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 153.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.65
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556293) is N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(CN)c1ccc(-n2nc(C3CCN(S(C)(=O)=O)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.

What is the InChIKey of N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LQHVKBWKLFXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O3S/c1-25(2,16-26)18-5-6-21(28-14-18)34-22(30-24(35)19-15-29-33-10-4-9-27-23(19)33)13-20(31-34)17-7-11-32(12-8-17)38(3,36)37/h4-6,9-10,13-15,17H,7-8,11-12,16,26H2,1-3H3,(H,30,35).

What are the key properties of N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 537.65 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(1-amino-2-methylpropan-2-yl)-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).