1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

C29H40N8O2 — CID 157315180

IUPAC1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESNCCN1CCCC1=O.O=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1
InChIInChI=1S/C23H28N6O.C6H12N2O/c30-22-5-2-13-29(22)14-12-25-21-4-1-3-19(27-21)17-8-11-26-23-18(17)15-20(28-23)16-6-9-24-10-7-16;7-3-5-8-4-1-2-6(8)9/h1,3-4,8,11,15-16,24H,2,5-7,9-10,12-14H2,(H,25,27)(H,26,28);1-5,7H2
InChIKeyBDMVFHGMXYYJHJ-UHFFFAOYSA-N
MW532.69 g/mol
LogP2.69
Rot. Bonds8

About 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 157315180) has the molecular formula C29H40N8O2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
PubChem CID157315180
Molecular FormulaC29H40N8O2
Molecular Weight532.69 g/mol
Exact Mass532.33
IUPAC Name1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESNCCN1CCCC1=O.O=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1
InChIInChI=1S/C23H28N6O.C6H12N2O/c30-22-5-2-13-29(22)14-12-25-21-4-1-3-19(27-21)17-8-11-26-23-18(17)15-20(28-23)16-6-9-24-10-7-16;7-3-5-8-4-1-2-6(8)9/h1,3-4,8,11,15-16,24H,2,5-7,9-10,12-14H2,(H,25,27)(H,26,28);1-5,7H2
InChIKeyBDMVFHGMXYYJHJ-UHFFFAOYSA-N
XLogP2.69
TPSA132.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 16113710
N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}ethyl]piperidine-4-carboxamide
CID 23648249
[4-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl][(2s)-1-(Propan-2-Yl)pyrrolidin-2-Yl]methanone
CID 53341544
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4-carbonyl)cyclohexane-1-carboxamide
CID 57541268
2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 135142442
N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 23648250
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(3H-imidazo[4,5-b]pyridin-6-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9894997
3-[(3R,4R)-4-methyl-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]-3-oxopropanenitrile
CID 60165955
Cdk9-IN-13
CID 163196243
1-[4-[3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]-1,4-diazepan-1-yl]ethanone
CID 164619797

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (CID 157315180) is 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is NCCN1CCCC1=O.O=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1.
What is the InChIKey of 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is BDMVFHGMXYYJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C6H12N2O/c30-22-5-2-13-29(22)14-12-25-21-4-1-3-19(27-21)17-8-11-26-23-18(17)15-20(28-23)16-6-9-24-10-7-16;7-3-5-8-4-1-2-6(8)9/h1,3-4,8,11,15-16,24H,2,5-7,9-10,12-14H2,(H,25,27)(H,26,28);1-5,7H2.
What are the key properties of 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 532.69 g/mol, XLogP of 2.69, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrolidin-2-one;1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 157315180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).