N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H32N8O2 — CID 124951015

About N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124951015) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 124951015
• Molecular Formula: C25H32N8O2
• Molecular Weight: 476.59 g/mol
• Exact Mass: 476.26
• IUPAC Name: N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(C)nc(NCCC(=O)N2CCC[C@@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn23)n1
• InChI: InChI=1S/C25H32N8O2/c1-16-14-17(2)30-25(29-16)27-12-10-22(34)32-13-5-8-20(32)21-9-11-26-23-19(15-28-33(21)23)24(35)31-18-6-3-4-7-18/h9,11,14-15,18,20H,3-8,10,12-13H2,1-2H3,(H,31,35)(H,27,29,30)/t20-/m1/s1
• InChIKey: DFGNMEIZPFVOJM-HXUWFJFHSA-N
• XLogP: 2.97
• TPSA: 117.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.59
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124951015) is N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)nc(NCCC(=O)N2CCC[C@@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn23)n1.

What is the InChIKey of N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DFGNMEIZPFVOJM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-16-14-17(2)30-25(29-16)27-12-10-22(34)32-13-5-8-20(32)21-9-11-26-23-19(15-28-33(21)23)24(35)31-18-6-3-4-7-18/h9,11,14-15,18,20H,3-8,10,12-13H2,1-2H3,(H,31,35)(H,27,29,30)/t20-/m1/s1.

What are the key properties of N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-7-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124951015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).