3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione

C41H43N9O6 — CID 160510988

IUPAC3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
SMILESCn1ccc2c(CC3CCC(=O)NC3=O)ccnc21.Cn1ccc2cc(CC3CCC(=O)NC3=O)cnc21.O=C1CCC(Cc2ccc3cncn3c2)C(=O)N1
InChIInChI=1S/2C14H15N3O2.C13H13N3O2/c1-17-7-5-11-9(4-6-15-13(11)17)8-10-2-3-12(18)16-14(10)19;1-17-5-4-10-6-9(8-15-13(10)17)7-11-2-3-12(18)16-14(11)19;17-12-4-2-10(13(18)15-12)5-9-1-3-11-6-14-8-16(11)7-9/h4-7,10H,2-3,8H2,1H3,(H,16,18,19);4-6,8,11H,2-3,7H2,1H3,(H,16,18,19);1,3,6-8,10H,2,4-5H2,(H,15,17,18)
InChIKeyQTARZIKZOQXHQX-UHFFFAOYSA-N
MW757.85 g/mol
LogP3.27
Rot. Bonds6

About 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione

3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione (PubChem CID 160510988) has the molecular formula C41H43N9O6 and a molecular weight of 757.85 g/mol. Its IUPAC name is 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
PubChem CID160510988
Molecular FormulaC41H43N9O6
Molecular Weight757.85 g/mol
Exact Mass757.33
IUPAC Name3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
SMILESCn1ccc2c(CC3CCC(=O)NC3=O)ccnc21.Cn1ccc2cc(CC3CCC(=O)NC3=O)cnc21.O=C1CCC(Cc2ccc3cncn3c2)C(=O)N1
InChIInChI=1S/2C14H15N3O2.C13H13N3O2/c1-17-7-5-11-9(4-6-15-13(11)17)8-10-2-3-12(18)16-14(10)19;1-17-5-4-10-6-9(8-15-13(10)17)7-11-2-3-12(18)16-14(11)19;17-12-4-2-10(13(18)15-12)5-9-1-3-11-6-14-8-16(11)7-9/h4-7,10H,2-3,8H2,1H3,(H,16,18,19);4-6,8,11H,2-3,7H2,1H3,(H,16,18,19);1,3,6-8,10H,2,4-5H2,(H,15,17,18)
InChIKeyQTARZIKZOQXHQX-UHFFFAOYSA-N
XLogP3.27
TPSA191.45 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.85
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione
CID 161114732
3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
CID 159174165
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
CID 118560478
2-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]acetic acid
CID 165078631
(4S)-1-(2-methoxyethyl)-4-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrrolidin-2-one
CID 124843968
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
CID 174088430
CID 174088430
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
3-[[3-chloro-4-(4-piperidin-4-ylpiperidin-1-yl)phenyl]methyl]piperidine-2,6-dione
CID 165007017
3-[[4-[4-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-3-methylphenyl]methyl]piperidine-2,6-dione
CID 164986723

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione (CID 160510988) is 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione is Cn1ccc2c(CC3CCC(=O)NC3=O)ccnc21.Cn1ccc2cc(CC3CCC(=O)NC3=O)cnc21.O=C1CCC(Cc2ccc3cncn3c2)C(=O)N1.
What is the InChIKey of 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione?
The InChIKey is QTARZIKZOQXHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N3O2.C13H13N3O2/c1-17-7-5-11-9(4-6-15-13(11)17)8-10-2-3-12(18)16-14(10)19;1-17-5-4-10-6-9(8-15-13(10)17)7-11-2-3-12(18)16-14(11)19;17-12-4-2-10(13(18)15-12)5-9-1-3-11-6-14-8-16(11)7-9/h4-7,10H,2-3,8H2,1H3,(H,16,18,19);4-6,8,11H,2-3,7H2,1H3,(H,16,18,19);1,3,6-8,10H,2,4-5H2,(H,15,17,18).
What are the key properties of 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione?
3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione has a molecular weight of 757.85 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 160510988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).