[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone

C25H35N7O — CID 118667211

About [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone

[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 118667211) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone
• PubChem CID: 118667211
• Molecular Formula: C25H35N7O
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.29
• IUPAC Name: [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone
• SMILES: Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(C)cnn3C(C)C)cc2nc1N1CC[C@H](C)C1
• InChI: InChI=1S/C25H35N7O/c1-16(2)32-23(18(4)13-26-32)25(33)30-10-7-6-8-21(30)20-12-22-27-24(19(5)15-31(22)28-20)29-11-9-17(3)14-29/h12-13,15-17,21H,6-11,14H2,1-5H3/t17-,21-/m0/s1
• InChIKey: IFVZMLUOZHTDFQ-UWJYYQICSA-N
• XLogP: 4.34
• TPSA: 71.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone?

The IUPAC name of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone (CID 118667211) is [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone.

What is the SMILES notation for [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone?

The canonical SMILES for [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(C)cnn3C(C)C)cc2nc1N1CC[C@H](C)C1.

What is the InChIKey of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone?

The InChIKey is IFVZMLUOZHTDFQ-UWJYYQICSA-N. The full InChI is InChI=1S/C25H35N7O/c1-16(2)32-23(18(4)13-26-32)25(33)30-10-7-6-8-21(30)20-12-22-27-24(19(5)15-31(22)28-20)29-11-9-17(3)14-29/h12-13,15-17,21H,6-11,14H2,1-5H3/t17-,21-/m0/s1.

What are the key properties of [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone?

[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 449.60 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 118667211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).