N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide

C24H29N3O2 — CID 160770230

IUPACN-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
SMILESCOCC(C)n1ccc2c(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cccc21
InChIInChI=1S/C24H29N3O2/c1-16(15-29-2)26-11-10-21-22(4-3-5-23(21)26)24(28)27(19-8-9-19)20-7-6-17-13-25-14-18(17)12-20/h3-5,10-11,14,16,19-20H,6-9,12-13,15H2,1-2H3
InChIKeyRZFILUAHEGQLCR-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.39
Rot. Bonds6

About N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide

N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide (PubChem CID 160770230) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
PubChem CID160770230
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
SMILESCOCC(C)n1ccc2c(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cccc21
InChIInChI=1S/C24H29N3O2/c1-16(15-29-2)26-11-10-21-22(4-3-5-23(21)26)24(28)27(19-8-9-19)20-7-6-17-13-25-14-18(17)12-20/h3-5,10-11,14,16,19-20H,6-9,12-13,15H2,1-2H3
InChIKeyRZFILUAHEGQLCR-UHFFFAOYSA-N
XLogP4.39
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide (CID 160770230) is N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide is COCC(C)n1ccc2c(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cccc21.
What is the InChIKey of N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
The InChIKey is RZFILUAHEGQLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(15-29-2)26-11-10-21-22(4-3-5-23(21)26)24(28)27(19-8-9-19)20-7-6-17-13-25-14-18(17)12-20/h3-5,10-11,14,16,19-20H,6-9,12-13,15H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide?
N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide is sourced from PubChem (CID 160770230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).