(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

C22H27N5O — CID 95718612

About (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (PubChem CID 95718612) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
• PubChem CID: 95718612
• Molecular Formula: C22H27N5O
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.22
• IUPAC Name: (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
• SMILES: Cc1c(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cnc2ccnn12
• InChI: InChI=1S/C22H27N5O/c1-15(2)17-6-8-18(9-7-17)25-19-5-4-12-26(14-19)22(28)20-13-23-21-10-11-24-27(21)16(20)3/h6-11,13,15,19,25H,4-5,12,14H2,1-3H3/t19-/m1/s1
• InChIKey: WYNAOIBGVCYNSW-LJQANCHMSA-N
• XLogP: 3.88
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?

The IUPAC name of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (CID 95718612) is (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.

What is the SMILES notation for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?

The canonical SMILES for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cnc2ccnn12.

What is the InChIKey of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?

The InChIKey is WYNAOIBGVCYNSW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)17-6-8-18(9-7-17)25-19-5-4-12-26(14-19)22(28)20-13-23-21-10-11-24-27(21)16(20)3/h6-11,13,15,19,25H,4-5,12,14H2,1-3H3/t19-/m1/s1.

What are the key properties of (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?

(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 95718612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).