2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole

C41H46N4 — CID 159346950

IUPAC2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole
SMILESC[C@@H]1CNC(C2=NC=C(c3ccc(-c4ccc(-c5ccc6c(c5)CC(C5C[C@H](C)CN5)=N6)c5c4CC4(CCCC4)C5)cc3)C2)C1
InChIInChI=1S/C41H46N4/c1-25-15-37(42-22-25)39-19-31(24-44-39)27-5-7-28(8-6-27)32-10-11-33(35-21-41(20-34(32)35)13-3-4-14-41)29-9-12-36-30(17-29)18-40(45-36)38-16-26(2)23-43-38/h5-12,17,24-26,37-38,42-43H,3-4,13-16,18-23H2,1-2H3/t25-,26-,37?,38?/m0/s1
InChIKeyGVODQZMZJKMKRE-MIVRYZLGSA-N
MW594.85 g/mol
LogP8.49
Rot. Bonds5

About 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole

2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole (PubChem CID 159346950) has the molecular formula C41H46N4 and a molecular weight of 594.85 g/mol. Its IUPAC name is 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole.

Molecular Properties

Compound Name2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole
PubChem CID159346950
Molecular FormulaC41H46N4
Molecular Weight594.85 g/mol
Exact Mass594.37
IUPAC Name2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole
SMILESC[C@@H]1CNC(C2=NC=C(c3ccc(-c4ccc(-c5ccc6c(c5)CC(C5C[C@H](C)CN5)=N6)c5c4CC4(CCCC4)C5)cc3)C2)C1
InChIInChI=1S/C41H46N4/c1-25-15-37(42-22-25)39-19-31(24-44-39)27-5-7-28(8-6-27)32-10-11-33(35-21-41(20-34(32)35)13-3-4-14-41)29-9-12-36-30(17-29)18-40(45-36)38-16-26(2)23-43-38/h5-12,17,24-26,37-38,42-43H,3-4,13-16,18-23H2,1-2H3/t25-,26-,37?,38?/m0/s1
InChIKeyGVODQZMZJKMKRE-MIVRYZLGSA-N
XLogP8.49
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.85
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole with MolForge

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Related Compounds

5-[9,9-difluoro-7-[2-(5-methyl-5-azaspiro[2.4]heptan-6-yl)-3H-pyrrol-4-yl]fluoren-2-yl]-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole
CID 149494847
2-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-5-[7-[2-(5-azaspiro[2.4]heptan-6-yl)-3H-pyrrol-4-yl]-9,9-difluorofluoren-2-yl]-3H-indole
CID 152917039
2-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-5-[7-[2-(5-azaspiro[2.4]heptan-6-yl)-3H-pyrrol-4-yl]-9,9-difluorofluoren-2-yl]-3H-indole;methane
CID 157532801
6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-methyl-5-azaspiro[2.4]heptane;5-methyl-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole
CID 158271220
5-[7-[2-[(6S)-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]-9,9,10,10-tetrafluorophenanthren-2-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-indole
CID 158368391
2-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-3H-indole;6-[4-(9,9-difluoro-7-methylfluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane
CID 160722503
2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-5-[3-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]-3H-indole
CID 157256605
2-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-5-[9,9-difluoro-7-(2-spiro[2.4]heptan-6-yl-3H-pyrrol-4-yl)fluoren-2-yl]-3H-indole
CID 159513828
2-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-5-[7-[2-[(6S)-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]-9,9-difluorofluoren-2-yl]-3H-indole
CID 161153476
2-(methylideneamino)-5-[7-[4-[2-(4-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-N-[(4-methylpyrrolidin-2-yl)methyl]aniline
CID 144594043
1-(3-aminopropyl)-2-[3-[3'-(3-aminopropyl)-1',1'-dimethylspiro[cyclopentane-1,6'-indeno[1,2-e]indol-3-ium]-2'-yl]prop-2-enylidene]-N,N,3,3-tetramethylindol-5-amine
CID 157405885
methyl N-[(2S)-1-[(2S,4S)-2-[4-[4-[7-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-3H-indol-5-yl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161143977

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole?
The IUPAC name of 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole (CID 159346950) is 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole.
What is the SMILES notation for 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole?
The canonical SMILES for 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole is C[C@@H]1CNC(C2=NC=C(c3ccc(-c4ccc(-c5ccc6c(c5)CC(C5C[C@H](C)CN5)=N6)c5c4CC4(CCCC4)C5)cc3)C2)C1.
What is the InChIKey of 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole?
The InChIKey is GVODQZMZJKMKRE-MIVRYZLGSA-N. The full InChI is InChI=1S/C41H46N4/c1-25-15-37(42-22-25)39-19-31(24-44-39)27-5-7-28(8-6-27)32-10-11-33(35-21-41(20-34(32)35)13-3-4-14-41)29-9-12-36-30(17-29)18-40(45-36)38-16-26(2)23-43-38/h5-12,17,24-26,37-38,42-43H,3-4,13-16,18-23H2,1-2H3/t25-,26-,37?,38?/m0/s1.
What are the key properties of 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole?
2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole has a molecular weight of 594.85 g/mol, XLogP of 8.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methylpyrrolidin-2-yl]-5-[7-[4-[2-[(4S)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl]-3H-indole is sourced from PubChem (CID 159346950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).