1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C26H33N5O3 — CID 89288159

About 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 89288159) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
• PubChem CID: 89288159
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
• SMILES: C=CC(=O)N1CCc2c(C#N)c(N3CCN(C(=O)CCOC)C(C4CC4)C3)nc(C3CC3)c2C1
• InChI: InChI=1S/C26H33N5O3/c1-3-23(32)29-10-8-19-20(14-27)26(28-25(18-6-7-18)21(19)15-29)30-11-12-31(24(33)9-13-34-2)22(16-30)17-4-5-17/h3,17-18,22H,1,4-13,15-16H2,2H3
• InChIKey: UMGNQHCIUZYMAS-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 89.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?

The IUPAC name of 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 89288159) is 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

What is the SMILES notation for 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?

The canonical SMILES for 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is C=CC(=O)N1CCc2c(C#N)c(N3CCN(C(=O)CCOC)C(C4CC4)C3)nc(C3CC3)c2C1.

What is the InChIKey of 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?

The InChIKey is UMGNQHCIUZYMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-3-23(32)29-10-8-19-20(14-27)26(28-25(18-6-7-18)21(19)15-29)30-11-12-31(24(33)9-13-34-2)22(16-30)17-4-5-17/h3,17-18,22H,1,4-13,15-16H2,2H3.

What are the key properties of 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?

1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 463.58 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 89288159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).