3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide

C24H29N5O5 — CID 162695581

IUPAC3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)C1([C@H](C[C@H]2CCNC2=O)C(=O)CO)C2CCCC2CN1C(=O)c1cc2ncccc2[nH]1
InChIInChI=1S/C24H29N5O5/c25-23(34)24(16(20(31)12-30)9-13-6-8-27-21(13)32)15-4-1-3-14(15)11-29(24)22(33)19-10-18-17(28-19)5-2-7-26-18/h2,5,7,10,13-16,28,30H,1,3-4,6,8-9,11-12H2,(H2,25,34)(H,27,32)/t13-,14?,15?,16-,24?/m1/s1
InChIKeyMBJZYDLTCNRYJB-FZDZHRQYSA-N
MW467.53 g/mol
LogP0.36
Rot. Bonds7

About 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide

3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 162695581) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID162695581
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)C1([C@H](C[C@H]2CCNC2=O)C(=O)CO)C2CCCC2CN1C(=O)c1cc2ncccc2[nH]1
InChIInChI=1S/C24H29N5O5/c25-23(34)24(16(20(31)12-30)9-13-6-8-27-21(13)32)15-4-1-3-14(15)11-29(24)22(33)19-10-18-17(28-19)5-2-7-26-18/h2,5,7,10,13-16,28,30H,1,3-4,6,8-9,11-12H2,(H2,25,34)(H,27,32)/t13-,14?,15?,16-,24?/m1/s1
InChIKeyMBJZYDLTCNRYJB-FZDZHRQYSA-N
XLogP0.36
TPSA158.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

3-[(2S)-4-(cyclohexylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide
CID 162712464
1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide
CID 162478809
2-[4-(1,1-difluoroethyl)-1H-indole-2-carbonyl]-N-[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936283
(1R,2S,5S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3-(1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166936807
(3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 163823674
1-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide
CID 162479503
(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[4-(trifluoromethoxy)-1H-indole-2-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 162695274
(1R,2S,5S)-N-[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166936488
N-[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166936513
(1R,2S,5S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 162695648
(3S,3aS,6aR)-N-[4-hydroxy-3-oxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936350
(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide
CID 162695550

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide (CID 162695581) is 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide is NC(=O)C1([C@H](C[C@H]2CCNC2=O)C(=O)CO)C2CCCC2CN1C(=O)c1cc2ncccc2[nH]1.
What is the InChIKey of 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is MBJZYDLTCNRYJB-FZDZHRQYSA-N. The full InChI is InChI=1S/C24H29N5O5/c25-23(34)24(16(20(31)12-30)9-13-6-8-27-21(13)32)15-4-1-3-14(15)11-29(24)22(33)19-10-18-17(28-19)5-2-7-26-18/h2,5,7,10,13-16,28,30H,1,3-4,6,8-9,11-12H2,(H2,25,34)(H,27,32)/t13-,14?,15?,16-,24?/m1/s1.
What are the key properties of 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide?
3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 162695581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).