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

C27H29F2N3O2 — CID 69067992

IUPAC8-[cyclopropylmethyl-[3-(5,7-difluoro-1H-indol-3-yl)propyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
SMILESCN1Cc2ccc3c(c2C1=O)CC(N(CCCc1c[nH]c2c(F)cc(F)cc12)CC1CC1)CO3
InChIInChI=1S/C27H29F2N3O2/c1-31-14-18-6-7-24-22(25(18)27(31)33)11-20(15-34-24)32(13-16-4-5-16)8-2-3-17-12-30-26-21(17)9-19(28)10-23(26)29/h6-7,9-10,12,16,20,30H,2-5,8,11,13-15H2,1H3
InChIKeyLIBNOLGKMCCESH-UHFFFAOYSA-N
MW465.54 g/mol
LogP4.68
Rot. Bonds7

About 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

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 (PubChem CID 69067992) has the molecular formula C27H29F2N3O2 and a molecular weight of 465.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[cyclopropylmethyl-[3-(5,7-difluoro-1H-indol-3-yl)propyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
PubChem CID69067992
Molecular FormulaC27H29F2N3O2
Molecular Weight465.54 g/mol
Exact Mass465.22
IUPAC Name8-[cyclopropylmethyl-[3-(5,7-difluoro-1H-indol-3-yl)propyl]amino]-2-methyl-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
SMILESCN1Cc2ccc3c(c2C1=O)CC(N(CCCc1c[nH]c2c(F)cc(F)cc12)CC1CC1)CO3
InChIInChI=1S/C27H29F2N3O2/c1-31-14-18-6-7-24-22(25(18)27(31)33)11-20(15-34-24)32(13-16-4-5-16)8-2-3-17-12-30-26-21(17)9-19(28)10-23(26)29/h6-7,9-10,12,16,20,30H,2-5,8,11,13-15H2,1H3
InChIKeyLIBNOLGKMCCESH-UHFFFAOYSA-N
XLogP4.68
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
3-[3-[cyclopropylmethyl-[(8R)-1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl]amino]propyl]-1H-indole-5-carbonitrile
CID 69067572
8-[3-(5,7-difluoro-1H-indol-3-yl)propylamino]-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one
CID 69072143
3-[cyclopropylmethyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11845817
N-cyclobutyl-N-[3-(5,7-difluoro-1H-indol-3-yl)propyl]cyclobutanamine
CID 69425325
3-[cyclobutyl-[3-(5,7-difluoro-1H-indol-3-yl)propyl]amino]-5-fluoro-3,4-dihydro-2H-chromene-8-carboxamide
CID 69441071
3-[3-[cyclopropylmethyl-(6-fluoro-1-oxo-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-9-yl)amino]propyl]-1H-indole-5-carbonitrile
CID 69071210
3-[3-(5-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69439125
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
3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 160521794
(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25139365
N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 11845458

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1Cc2ccc3c(c2C1=O)CC(N(CCCc1c[nH]c2c(F)cc(F)cc12)CC1CC1)CO3.
What is the InChIKey of 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?
The InChIKey is LIBNOLGKMCCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O2/c1-31-14-18-6-7-24-22(25(18)27(31)33)11-20(15-34-24)32(13-16-4-5-16)8-2-3-17-12-30-26-21(17)9-19(28)10-23(26)29/h6-7,9-10,12,16,20,30H,2-5,8,11,13-15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 465.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69067992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).