3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one

C36H44N6O2 — CID 143839189

IUPAC3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc2c(c1)c1c(n2C2CC(=O)N(C)C2)CCN(CCN2CCC(n3c4c(c5cc(C)ccc53)CN(C)CC4)C2=O)C1
InChIInChI=1S/C36H44N6O2/c1-23-5-7-30-27(18-23)29-22-39(13-10-32(29)41(30)25-19-35(43)38(4)20-25)15-16-40-14-11-34(36(40)44)42-31-8-6-24(2)17-26(31)28-21-37(3)12-9-33(28)42/h5-8,17-18,25,34H,9-16,19-22H2,1-4H3
InChIKeyUPCMPEPMWIYUHN-UHFFFAOYSA-N
MW592.79 g/mol
LogP4.44
Rot. Bonds5

About 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one

3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 143839189) has the molecular formula C36H44N6O2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one
PubChem CID143839189
Molecular FormulaC36H44N6O2
Molecular Weight592.79 g/mol
Exact Mass592.35
IUPAC Name3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc2c(c1)c1c(n2C2CC(=O)N(C)C2)CCN(CCN2CCC(n3c4c(c5cc(C)ccc53)CN(C)CC4)C2=O)C1
InChIInChI=1S/C36H44N6O2/c1-23-5-7-30-27(18-23)29-22-39(13-10-32(29)41(30)25-19-35(43)38(4)20-25)15-16-40-14-11-34(36(40)44)42-31-8-6-24(2)17-26(31)28-21-37(3)12-9-33(28)42/h5-8,17-18,25,34H,9-16,19-22H2,1-4H3
InChIKeyUPCMPEPMWIYUHN-UHFFFAOYSA-N
XLogP4.44
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.79
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

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3-[2-(dimethylamino)ethyl]-1-ethyl-8-[(9-ethyl-9H-carbazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
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1-benzyl-8-[(1-methyl-1H-indol-3-yl)methyl]-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
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(3S,8aS)-3-[[6-[3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]indol-1-yl]-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
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2-(4-cyclohexyl-piperazin-1-yl)-1-(3,4-dihydro-pyrazino[1,2-a]indol-2(1H)-yl)propan-1-one
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US10660877, Example 130
CID 134329254
US10660877, Example 384
CID 134329362
US10660877, Example 261
CID 134329391
US10660877, Example 186
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Frequently Asked Questions

What is the IUPAC name of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one (CID 143839189) is 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one is Cc1ccc2c(c1)c1c(n2C2CC(=O)N(C)C2)CCN(CCN2CCC(n3c4c(c5cc(C)ccc53)CN(C)CC4)C2=O)C1.
What is the InChIKey of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is UPCMPEPMWIYUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6O2/c1-23-5-7-30-27(18-23)29-22-39(13-10-32(29)41(30)25-19-35(43)38(4)20-25)15-16-40-14-11-34(36(40)44)42-31-8-6-24(2)17-26(31)28-21-37(3)12-9-33(28)42/h5-8,17-18,25,34H,9-16,19-22H2,1-4H3.
What are the key properties of 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one?
3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 592.79 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[2-[8-methyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 143839189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).