2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide

C32H34N6O4 — CID 166994282

IUPAC2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
SMILESNC(=O)C(CCC=O)N1C(=O)c2ccc(NCC3CC(n4cc(-c5cccc(C6CC6)n5)c(C5CC5)n4)C3)cc2C1=O
InChIInChI=1S/C32H34N6O4/c33-30(40)28(5-2-12-39)38-31(41)23-11-10-21(15-24(23)32(38)42)34-16-18-13-22(14-18)37-17-25(29(36-37)20-8-9-20)27-4-1-3-26(35-27)19-6-7-19/h1,3-4,10-12,15,17-20,22,28,34H,2,5-9,13-14,16H2,(H2,33,40)
InChIKeyFCVMNULWEKMZIE-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.19
Rot. Bonds12

About 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide

2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide (PubChem CID 166994282) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Name2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
PubChem CID166994282
Molecular FormulaC32H34N6O4
Molecular Weight566.66 g/mol
Exact Mass566.26
IUPAC Name2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
SMILESNC(=O)C(CCC=O)N1C(=O)c2ccc(NCC3CC(n4cc(-c5cccc(C6CC6)n5)c(C5CC5)n4)C3)cc2C1=O
InChIInChI=1S/C32H34N6O4/c33-30(40)28(5-2-12-39)38-31(41)23-11-10-21(15-24(23)32(38)42)34-16-18-13-22(14-18)37-17-25(29(36-37)20-8-9-20)27-4-1-3-26(35-27)19-6-7-19/h1,3-4,10-12,15,17-20,22,28,34H,2,5-9,13-14,16H2,(H2,33,40)
InChIKeyFCVMNULWEKMZIE-UHFFFAOYSA-N
XLogP4.19
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The IUPAC name of 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide (CID 166994282) is 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide is NC(=O)C(CCC=O)N1C(=O)c2ccc(NCC3CC(n4cc(-c5cccc(C6CC6)n5)c(C5CC5)n4)C3)cc2C1=O.
What is the InChIKey of 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
The InChIKey is FCVMNULWEKMZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c33-30(40)28(5-2-12-39)38-31(41)23-11-10-21(15-24(23)32(38)42)34-16-18-13-22(14-18)37-17-25(29(36-37)20-8-9-20)27-4-1-3-26(35-27)19-6-7-19/h1,3-4,10-12,15,17-20,22,28,34H,2,5-9,13-14,16H2,(H2,33,40).
What are the key properties of 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide?
2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide has a molecular weight of 566.66 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-[3-cyclopropyl-4-(6-cyclopropyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methylamino]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 166994282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).