N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide

C22H25N3O2 — CID 159568436

IUPACN-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
SMILESCOc1ccc2c(ccn2C)c1C(=O)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C22H25N3O2/c1-24-10-9-18-19(24)7-8-20(27-2)21(18)22(26)25(16-5-6-16)17-4-3-14-12-23-13-15(14)11-17/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyMHMQLOZZIDZJBU-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.72
Rot. Bonds4

About N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide

N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide (PubChem CID 159568436) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
PubChem CID159568436
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
SMILESCOc1ccc2c(ccn2C)c1C(=O)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C22H25N3O2/c1-24-10-9-18-19(24)7-8-20(27-2)21(18)22(26)25(16-5-6-16)17-4-3-14-12-23-13-15(14)11-17/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyMHMQLOZZIDZJBU-UHFFFAOYSA-N
XLogP3.72
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide (CID 159568436) is N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide is COc1ccc2c(ccn2C)c1C(=O)N(C1CC1)C1CCC2=C(C=NC2)C1.
What is the InChIKey of N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
The InChIKey is MHMQLOZZIDZJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-10-9-18-19(24)7-8-20(27-2)21(18)22(26)25(16-5-6-16)17-4-3-14-12-23-13-15(14)11-17/h7-10,13,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide is sourced from PubChem (CID 159568436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).