5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one

C28H32N4O2 — CID 129173519

IUPAC5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)NC2c2ccc(C3=CNC4C=CC=CC34)cc2)C1
InChIInChI=1S/C28H32N4O2/c33-26(21-9-10-21)31-14-11-18(16-31)17-32-25(30-28(12-13-28)27(32)34)20-7-5-19(6-8-20)23-15-29-24-4-2-1-3-22(23)24/h1-8,15,18,21-22,24-25,29-30H,9-14,16-17H2/t18-,22?,24?,25?/m1/s1
InChIKeyFRRPEGOJOJAKRA-VJNBIJTCSA-N
MW456.59 g/mol
LogP2.96
Rot. Bonds5

About 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one

5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 129173519) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID129173519
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)NC2c2ccc(C3=CNC4C=CC=CC34)cc2)C1
InChIInChI=1S/C28H32N4O2/c33-26(21-9-10-21)31-14-11-18(16-31)17-32-25(30-28(12-13-28)27(32)34)20-7-5-19(6-8-20)23-15-29-24-4-2-1-3-22(23)24/h1-8,15,18,21-22,24-25,29-30H,9-14,16-17H2/t18-,22?,24?,25?/m1/s1
InChIKeyFRRPEGOJOJAKRA-VJNBIJTCSA-N
XLogP2.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

3-[4-[6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-7-oxo-4,6-diazaspiro[2.4]heptan-5-yl]cyclohexa-2,4-dien-1-yl]benzoic acid
CID 129173378
6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 129173386
6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1,4-dihydroquinazolin-7-yl)cyclohexa-1,5-dien-1-yl]-4,6-diazaspiro[2.4]heptan-7-one
CID 129173398
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
cyclopropyl-[(3S)-3-[[3-[4-(4-methylphenyl)phenyl]-1,2,4-triazol-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 56944098
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
8-acetyl-2-(4-bromophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 90001656
4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-3-[4-(3H-indol-6-yl)phenyl]-1H-1,2,4-triazol-5-one
CID 157066378
5-(4-bromophenyl)-4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 86689386
5-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-[4-(4-fluorophenyl)phenyl]-1,2-diazaspiro[2.4]hept-6-en-4-one
CID 118619965
3-[4-(3-chlorophenyl)phenyl]-4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 66806768

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 129173519) is 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one is O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)NC2c2ccc(C3=CNC4C=CC=CC34)cc2)C1.
What is the InChIKey of 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is FRRPEGOJOJAKRA-VJNBIJTCSA-N. The full InChI is InChI=1S/C28H32N4O2/c33-26(21-9-10-21)31-14-11-18(16-31)17-32-25(30-28(12-13-28)27(32)34)20-7-5-19(6-8-20)23-15-29-24-4-2-1-3-22(23)24/h1-8,15,18,21-22,24-25,29-30H,9-14,16-17H2/t18-,22?,24?,25?/m1/s1.
What are the key properties of 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 456.59 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3a,7a-dihydro-1H-indol-3-yl)phenyl]-6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 129173519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).