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

C24H30N4O — CID 160659542

IUPACN-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
SMILESCCCCCn1ncc2c(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cccc21
InChIInChI=1S/C24H30N4O/c1-2-3-4-12-27-23-7-5-6-21(22(23)16-26-27)24(29)28(19-10-11-19)20-9-8-17-14-25-15-18(17)13-20/h5-7,15-16,19-20H,2-4,8-14H2,1H3
InChIKeyRLMLOGMPGAVOBM-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.76
Rot. Bonds7

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

N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide (PubChem CID 160659542) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
PubChem CID160659542
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
SMILESCCCCCn1ncc2c(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cccc21
InChIInChI=1S/C24H30N4O/c1-2-3-4-12-27-23-7-5-6-21(22(23)16-26-27)24(29)28(19-10-11-19)20-9-8-17-14-25-15-18(17)13-20/h5-7,15-16,19-20H,2-4,8-14H2,1H3
InChIKeyRLMLOGMPGAVOBM-UHFFFAOYSA-N
XLogP4.76
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide (CID 160659542) is N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide is CCCCCn1ncc2c(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cccc21.
What is the InChIKey of N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
The InChIKey is RLMLOGMPGAVOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-2-3-4-12-27-23-7-5-6-21(22(23)16-26-27)24(29)28(19-10-11-19)20-9-8-17-14-25-15-18(17)13-20/h5-7,15-16,19-20H,2-4,8-14H2,1H3.
What are the key properties of N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide?
N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide is sourced from PubChem (CID 160659542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).