8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one

C28H34FN3O2 — CID 15981341

IUPAC8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
SMILESCN1Cc2ccc3c(c2C1=O)CC(N(CCCCC1CNc2ccc(F)cc21)CC1CC1)CO3
InChIInChI=1S/C28H34FN3O2/c1-31-16-20-7-10-26-24(27(20)28(31)33)13-22(17-34-26)32(15-18-5-6-18)11-3-2-4-19-14-30-25-9-8-21(29)12-23(19)25/h7-10,12,18-19,22,30H,2-6,11,13-17H2,1H3
InChIKeyCYVDOQQHEBEYKX-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.81
Rot. Bonds8

About 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one

8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one (PubChem CID 15981341) has the molecular formula C28H34FN3O2 and a molecular weight of 463.60 g/mol. Its IUPAC name is 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one.

Molecular Properties

Compound Name8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
PubChem CID15981341
Molecular FormulaC28H34FN3O2
Molecular Weight463.60 g/mol
Exact Mass463.26
IUPAC Name8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
SMILESCN1Cc2ccc3c(c2C1=O)CC(N(CCCCC1CNc2ccc(F)cc21)CC1CC1)CO3
InChIInChI=1S/C28H34FN3O2/c1-31-16-20-7-10-26-24(27(20)28(31)33)13-22(17-34-26)32(15-18-5-6-18)11-3-2-4-19-14-30-25-9-8-21(29)12-23(19)25/h7-10,12,18-19,22,30H,2-6,11,13-17H2,1H3
InChIKeyCYVDOQQHEBEYKX-UHFFFAOYSA-N
XLogP4.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

8-[cyclopropylmethyl-[3-(5,7-difluoro-1H-indol-3-yl)propyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
CID 69067992
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
8-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-2-methyl-1,7,8,9-tetrahydropyrano[3,2-e]isoindol-3-one
CID 91427833
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen
CID 166138415
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25139916
4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 64521188
(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate
CID 172766683
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460978
5-fluoro-2,3-dihydro-1H-indol-3-amine
CID 84739506

Frequently Asked Questions

What is the IUPAC name of 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one?
The IUPAC name of 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one (CID 15981341) is 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one.
What is the SMILES notation for 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one?
The canonical SMILES for 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one is CN1Cc2ccc3c(c2C1=O)CC(N(CCCCC1CNc2ccc(F)cc21)CC1CC1)CO3.
What is the InChIKey of 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one?
The InChIKey is CYVDOQQHEBEYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O2/c1-31-16-20-7-10-26-24(27(20)28(31)33)13-22(17-34-26)32(15-18-5-6-18)11-3-2-4-19-14-30-25-9-8-21(29)12-23(19)25/h7-10,12,18-19,22,30H,2-6,11,13-17H2,1H3.
What are the key properties of 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one?
8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one has a molecular weight of 463.60 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[cyclopropylmethyl-[4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)butyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one is sourced from PubChem (CID 15981341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).