1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C24H32N4O — CID 91312710

IUPAC1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCCc1cn(C(OC(C)(C)C)=C2CCC2)c2ncc(-c3cnn(C(C)C)c3)cc12
InChIInChI=1S/C24H32N4O/c1-7-17-14-27(23(18-9-8-10-18)29-24(4,5)6)22-21(17)11-19(12-25-22)20-13-26-28(15-20)16(2)3/h11-16H,7-10H2,1-6H3
InChIKeyNYLIIVHQPPNTKV-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.21
Rot. Bonds5

About 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 91312710) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID91312710
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCCc1cn(C(OC(C)(C)C)=C2CCC2)c2ncc(-c3cnn(C(C)C)c3)cc12
InChIInChI=1S/C24H32N4O/c1-7-17-14-27(23(18-9-8-10-18)29-24(4,5)6)22-21(17)11-19(12-25-22)20-13-26-28(15-20)16(2)3/h11-16H,7-10H2,1-6H3
InChIKeyNYLIIVHQPPNTKV-UHFFFAOYSA-N
XLogP6.21
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 91312710) is 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is CCc1cn(C(OC(C)(C)C)=C2CCC2)c2ncc(-c3cnn(C(C)C)c3)cc12.
What is the InChIKey of 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is NYLIIVHQPPNTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-7-17-14-27(23(18-9-8-10-18)29-24(4,5)6)22-21(17)11-19(12-25-22)20-13-26-28(15-20)16(2)3/h11-16H,7-10H2,1-6H3.
What are the key properties of 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 392.55 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91312710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).