N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide

C23H28N4O2 — CID 70747649

IUPACN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1CCN(C)C1)nn2Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-16(2)29-20-11-7-10-19-21(20)22(24-23(28)18-12-13-26(3)15-18)25-27(19)14-17-8-5-4-6-9-17/h4-11,16,18H,12-15H2,1-3H3,(H,24,25,28)
InChIKeyGLLLCESXTQKAFJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.76
Rot. Bonds6

About N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide

N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 70747649) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide
PubChem CID70747649
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1CCN(C)C1)nn2Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-16(2)29-20-11-7-10-19-21(20)22(24-23(28)18-12-13-26(3)15-18)25-27(19)14-17-8-5-4-6-9-17/h4-11,16,18H,12-15H2,1-3H3,(H,24,25,28)
InChIKeyGLLLCESXTQKAFJ-UHFFFAOYSA-N
XLogP3.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide (CID 70747649) is N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide is CC(C)Oc1cccc2c1c(NC(=O)C1CCN(C)C1)nn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is GLLLCESXTQKAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)29-20-11-7-10-19-21(20)22(24-23(28)18-12-13-26(3)15-18)25-27(19)14-17-8-5-4-6-9-17/h4-11,16,18H,12-15H2,1-3H3,(H,24,25,28).
What are the key properties of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide?
N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70747649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).