2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone

C20H27N5O — CID 146852678

IUPAC2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone
SMILESC[C@H]1C[C@@H](CC(=O)C2CCCN2C)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C20H27N5O/c1-14-10-15(11-18(26)16-4-3-9-24(16)2)13-25(12-14)17-5-6-22-20-19(17)21-7-8-23-20/h5-8,14-16H,3-4,9-13H2,1-2H3/t14-,15-,16?/m0/s1
InChIKeySIZAVSFLFYJIKJ-KSCSMHSMSA-N
MW353.47 g/mol
LogP2.54
Rot. Bonds4

About 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone

2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone (PubChem CID 146852678) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone
PubChem CID146852678
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone
SMILESC[C@H]1C[C@@H](CC(=O)C2CCCN2C)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C20H27N5O/c1-14-10-15(11-18(26)16-4-3-9-24(16)2)13-25(12-14)17-5-6-22-20-19(17)21-7-8-23-20/h5-8,14-16H,3-4,9-13H2,1-2H3/t14-,15-,16?/m0/s1
InChIKeySIZAVSFLFYJIKJ-KSCSMHSMSA-N
XLogP2.54
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone with MolForge

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Related Compounds

8-[(3R,5S)-3-ethyl-5-methylpiperidin-1-yl]pyrido[2,3-b]pyrazine
CID 147040017
8-[(3S,5S)-3-methyl-5-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperidin-1-yl]quinoxaline-5-carbonitrile
CID 160969535
2-amino-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
CID 129241150
(2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
CID 129241388
8-[(3S,5S)-3-[3-(1,4-dimethylpiperidin-4-yl)-2-oxopropyl]-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile
CID 161437203
benzyl N-[(3R)-1-[(3R,5R)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 169078029
2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 159921824
1-piperidin-1-yl-4-(1-pyrido[2,3-b]pyrazin-8-ylpiperidin-4-yl)butan-2-one
CID 160922536
1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 129241249
5-methyl-1-[8-(methyliminomethyl)quinoxalin-5-yl]-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 146229440
(2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine
CID 129240999
N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 129280526

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone (CID 146852678) is 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone is C[C@H]1C[C@@H](CC(=O)C2CCCN2C)CN(c2ccnc3nccnc23)C1.
What is the InChIKey of 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is SIZAVSFLFYJIKJ-KSCSMHSMSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-10-15(11-18(26)16-4-3-9-24(16)2)13-25(12-14)17-5-6-22-20-19(17)21-7-8-23-20/h5-8,14-16H,3-4,9-13H2,1-2H3/t14-,15-,16?/m0/s1.
What are the key properties of 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone?
2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]-1-(1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 146852678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).