N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26N10O3S — CID 90271908

About N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90271908) has the molecular formula C24H26N10O3S and a molecular weight of 534.61 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 90271908
• Molecular Formula: C24H26N10O3S
• Molecular Weight: 534.61 g/mol
• Exact Mass: 534.19
• IUPAC Name: N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn(C)c2nc(-n3nc(C4CCN(S(C)(=O)=O)CC4)cc3NC(=O)c3cnn4cccnc34)ccc12
• InChI: InChI=1S/C24H26N10O3S/c1-15-17-5-6-20(27-23(17)31(2)29-15)34-21(28-24(35)18-14-26-33-10-4-9-25-22(18)33)13-19(30-34)16-7-11-32(12-8-16)38(3,36)37/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3,(H,28,35)
• InChIKey: QMLQVZBMTSUWPN-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 145.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.61
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90271908) is N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)c2nc(-n3nc(C4CCN(S(C)(=O)=O)CC4)cc3NC(=O)c3cnn4cccnc34)ccc12.

What is the InChIKey of N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QMLQVZBMTSUWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O3S/c1-15-17-5-6-20(27-23(17)31(2)29-15)34-21(28-24(35)18-14-26-33-10-4-9-25-22(18)33)13-19(30-34)16-7-11-32(12-8-16)38(3,36)37/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3,(H,28,35).

What are the key properties of N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 534.61 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90271908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).