[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C21H24N6O2 — CID 26357972

About [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 26357972) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

• Compound Name: [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
• PubChem CID: 26357972
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
• SMILES: CN1CCCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1
• InChI: InChI=1S/C21H24N6O2/c1-25-9-3-10-26(12-11-25)20(28)16-14-23-27(19(16)15-5-6-15)21-22-8-7-17(24-21)18-4-2-13-29-18/h2,4,7-8,13-15H,3,5-6,9-12H2,1H3
• InChIKey: AYWLPCHDQPQIEG-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?

The IUPAC name of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 26357972) is [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

What is the SMILES notation for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?

The canonical SMILES for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1.

What is the InChIKey of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?

The InChIKey is AYWLPCHDQPQIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25-9-3-10-26(12-11-25)20(28)16-14-23-27(19(16)15-5-6-15)21-22-8-7-17(24-21)18-4-2-13-29-18/h2,4,7-8,13-15H,3,5-6,9-12H2,1H3.

What are the key properties of [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?

[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 26357972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).