N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C23H26N4O3 — CID 70737069

IUPACN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1CC(=O)N(C)C1)nn2Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15(2)30-19-11-7-10-18-21(19)22(24-23(29)17-12-20(28)26(3)14-17)25-27(18)13-16-8-5-4-6-9-16/h4-11,15,17H,12-14H2,1-3H3,(H,24,25,29)
InChIKeyZMSRLXJRFFCMOH-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.29
Rot. Bonds6

About N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 70737069) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID70737069
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)C1CC(=O)N(C)C1)nn2Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15(2)30-19-11-7-10-18-21(19)22(24-23(29)17-12-20(28)26(3)14-17)25-27(18)13-16-8-5-4-6-9-16/h4-11,15,17H,12-14H2,1-3H3,(H,24,25,29)
InChIKeyZMSRLXJRFFCMOH-UHFFFAOYSA-N
XLogP3.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.29
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-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 70737069) is N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CC(C)Oc1cccc2c1c(NC(=O)C1CC(=O)N(C)C1)nn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZMSRLXJRFFCMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(2)30-19-11-7-10-18-21(19)22(24-23(29)17-12-20(28)26(3)14-17)25-27(18)13-16-8-5-4-6-9-16/h4-11,15,17H,12-14H2,1-3H3,(H,24,25,29).
What are the key properties of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.29, 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-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70737069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).