3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile

C27H30N4O2 — CID 15981304

IUPAC3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(CCCN(CC1CC1)C1COc3ccc4c(c3C1)C(=O)NC4)CN2
InChIInChI=1S/C27H30N4O2/c28-12-18-5-7-24-22(10-18)19(13-29-24)2-1-9-31(15-17-3-4-17)21-11-23-25(33-16-21)8-6-20-14-30-27(32)26(20)23/h5-8,10,17,19,21,29H,1-4,9,11,13-16H2,(H,30,32)
InChIKeyRWDAUNSZAKIDJZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.81
Rot. Bonds7

About 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile

3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile (PubChem CID 15981304) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile
PubChem CID15981304
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(CCCN(CC1CC1)C1COc3ccc4c(c3C1)C(=O)NC4)CN2
InChIInChI=1S/C27H30N4O2/c28-12-18-5-7-24-22(10-18)19(13-29-24)2-1-9-31(15-17-3-4-17)21-11-23-25(33-16-21)8-6-20-14-30-27(32)26(20)23/h5-8,10,17,19,21,29H,1-4,9,11,13-16H2,(H,30,32)
InChIKeyRWDAUNSZAKIDJZ-UHFFFAOYSA-N
XLogP3.81
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile?
The IUPAC name of 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile (CID 15981304) is 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile is N#Cc1ccc2c(c1)C(CCCN(CC1CC1)C1COc3ccc4c(c3C1)C(=O)NC4)CN2.
What is the InChIKey of 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile?
The InChIKey is RWDAUNSZAKIDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c28-12-18-5-7-24-22(10-18)19(13-29-24)2-1-9-31(15-17-3-4-17)21-11-23-25(33-16-21)8-6-20-14-30-27(32)26(20)23/h5-8,10,17,19,21,29H,1-4,9,11,13-16H2,(H,30,32).
What are the key properties of 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile?
3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile has a molecular weight of 442.56 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropylmethyl-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-2,3-dihydro-1H-indole-5-carbonitrile is sourced from PubChem (CID 15981304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).