[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

C30H43N7O — CID 160655589

About [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (PubChem CID 160655589) has the molecular formula C30H43N7O and a molecular weight of 517.72 g/mol. Its IUPAC name is [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.

Molecular Properties

• Compound Name: [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
• PubChem CID: 160655589
• Molecular Formula: C30H43N7O
• Molecular Weight: 517.72 g/mol
• Exact Mass: 517.35
• IUPAC Name: [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
• SMILES: C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3N3CCN(C4CC4)CC3)CC2)n1
• InChI: InChI=1S/C30H43N7O/c1-23(2)31-28-9-14-37(32-28)29(38)35-15-11-30(12-16-35)10-4-13-36(30)22-25-6-5-24(3)21-27(25)34-19-17-33(18-20-34)26-7-8-26/h5-6,9,14,21,26H,1,4,7-8,10-13,15-20,22H2,2-3H3,(H,31,32)
• InChIKey: WIOCLMRTGQOYGR-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 59.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.72
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

The IUPAC name of [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (CID 160655589) is [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.

What is the SMILES notation for [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

The canonical SMILES for [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is C=C(C)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3N3CCN(C4CC4)CC3)CC2)n1.

What is the InChIKey of [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

The InChIKey is WIOCLMRTGQOYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N7O/c1-23(2)31-28-9-14-37(32-28)29(38)35-15-11-30(12-16-35)10-4-13-36(30)22-25-6-5-24(3)21-27(25)34-19-17-33(18-20-34)26-7-8-26/h5-6,9,14,21,26H,1,4,7-8,10-13,15-20,22H2,2-3H3,(H,31,32).

What are the key properties of [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone has a molecular weight of 517.72 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-(4-cyclopropylpiperazin-1-yl)-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is sourced from PubChem (CID 160655589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).