[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C24H31N5O — CID 58029820

About [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 58029820) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
• PubChem CID: 58029820
• Molecular Formula: C24H31N5O
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.25
• IUPAC Name: [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
• SMILES: Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccn3C)cc2nc1C1CC[C@H](C)C1
• InChI: InChI=1S/C24H31N5O/c1-16-9-10-18(13-16)23-17(2)15-29-22(25-23)14-19(26-29)20-7-4-5-12-28(20)24(30)21-8-6-11-27(21)3/h6,8,11,14-16,18,20H,4-5,7,9-10,12-13H2,1-3H3/t16-,18?,20-/m0/s1
• InChIKey: GWARXQWQSWHYOL-RUFIAJSPSA-N
• XLogP: 4.65
• TPSA: 55.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 58029820) is [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

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

The canonical SMILES for [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccn3C)cc2nc1C1CC[C@H](C)C1.

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

The InChIKey is GWARXQWQSWHYOL-RUFIAJSPSA-N. The full InChI is InChI=1S/C24H31N5O/c1-16-9-10-18(13-16)23-17(2)15-29-22(25-23)14-19(26-29)20-7-4-5-12-28(20)24(30)21-8-6-11-27(21)3/h6,8,11,14-16,18,20H,4-5,7,9-10,12-13H2,1-3H3/t16-,18?,20-/m0/s1.

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

[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 405.55 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 58029820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).