[6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

C21H33N5O2 — CID 56865396

About [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

[6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 56865396) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 56865396
• Molecular Formula: C21H33N5O2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.26
• IUPAC Name: [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
• SMILES: CC(C)C1CN(c2cncc(C(=O)N3CCOCC3)n2)CCCN1CC1CC1
• InChI: InChI=1S/C21H33N5O2/c1-16(2)19-15-26(7-3-6-25(19)14-17-4-5-17)20-13-22-12-18(23-20)21(27)24-8-10-28-11-9-24/h12-13,16-17,19H,3-11,14-15H2,1-2H3
• InChIKey: TWPVYSZRUAMXSM-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 61.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 56865396) is [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is CC(C)C1CN(c2cncc(C(=O)N3CCOCC3)n2)CCCN1CC1CC1.

What is the InChIKey of [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?

The InChIKey is TWPVYSZRUAMXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-16(2)19-15-26(7-3-6-25(19)14-17-4-5-17)20-13-22-12-18(23-20)21(27)24-8-10-28-11-9-24/h12-13,16-17,19H,3-11,14-15H2,1-2H3.

What are the key properties of [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?

[6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 387.53 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56865396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).