5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O2 — CID 55841171

About 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55841171) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55841171
• Molecular Formula: C22H27N7O2
• Molecular Weight: 421.51 g/mol
• Exact Mass: 421.22
• IUPAC Name: 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C22H27N7O2/c1-14-17(15(2)29-22(26-14)18(13-25-29)21(23)31)6-7-20(30)27-16-8-11-28(12-9-16)19-5-3-4-10-24-19/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H2,23,31)(H,27,30)
• InChIKey: KCCDIJCZNSGPHZ-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 118.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.51
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55841171) is 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1CCN(c2ccccn2)CC1.

What is the InChIKey of 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KCCDIJCZNSGPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14-17(15(2)29-22(26-14)18(13-25-29)21(23)31)6-7-20(30)27-16-8-11-28(12-9-16)19-5-3-4-10-24-19/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H2,23,31)(H,27,30).

What are the key properties of 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-6-[3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55841171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).