1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide

C26H26N4O — CID 147607289

IUPAC1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
SMILESO=C(c1cccc2c1cnn2Cc1ccccc1)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C26H26N4O/c31-26(30(21-11-12-21)22-10-9-19-14-27-15-20(19)13-22)23-7-4-8-25-24(23)16-28-29(25)17-18-5-2-1-3-6-18/h1-8,15-16,21-22H,9-14,17H2
InChIKeyGBHSBYNZTUADHH-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.62
Rot. Bonds5

About 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide

1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide (PubChem CID 147607289) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
PubChem CID147607289
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
SMILESO=C(c1cccc2c1cnn2Cc1ccccc1)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C26H26N4O/c31-26(30(21-11-12-21)22-10-9-19-14-27-15-20(19)13-22)23-7-4-8-25-24(23)16-28-29(25)17-18-5-2-1-3-6-18/h1-8,15-16,21-22H,9-14,17H2
InChIKeyGBHSBYNZTUADHH-UHFFFAOYSA-N
XLogP4.62
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide (CID 147607289) is 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide is O=C(c1cccc2c1cnn2Cc1ccccc1)N(C1CC1)C1CCC2=C(C=NC2)C1.
What is the InChIKey of 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
The InChIKey is GBHSBYNZTUADHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c31-26(30(21-11-12-21)22-10-9-19-14-27-15-20(19)13-22)23-7-4-8-25-24(23)16-28-29(25)17-18-5-2-1-3-6-18/h1-8,15-16,21-22H,9-14,17H2.
What are the key properties of 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide is sourced from PubChem (CID 147607289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).