N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide

C29H27N5O2 — CID 142692242

IUPACN-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2nc3ncccc3nc2OC[C@H]2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C29H27N5O2/c1-21(35)31-24-14-11-22(12-15-24)13-16-27-29(33-26-10-5-17-30-28(26)32-27)36-20-25-9-6-18-34(25)19-23-7-3-2-4-8-23/h2-5,7-8,10-12,14-15,17,25H,6,9,18-20H2,1H3,(H,31,35)/t25-/m1/s1
InChIKeyBRIQVGGRMKJTDE-RUZDIDTESA-N
MW477.57 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide

N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide (PubChem CID 142692242) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide
PubChem CID142692242
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC NameN-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2nc3ncccc3nc2OC[C@H]2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C29H27N5O2/c1-21(35)31-24-14-11-22(12-15-24)13-16-27-29(33-26-10-5-17-30-28(26)32-27)36-20-25-9-6-18-34(25)19-23-7-3-2-4-8-23/h2-5,7-8,10-12,14-15,17,25H,6,9,18-20H2,1H3,(H,31,35)/t25-/m1/s1
InChIKeyBRIQVGGRMKJTDE-RUZDIDTESA-N
XLogP4.43
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
CID 166207297
propan-2-yl 2-[[1-[[4-[[2-[(3-propan-2-yloxycarbonyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
CID 78023945
1-benzyl-2-(phenoxymethyl)azetidine;oxalic acid;hydrate
CID 67905585
[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl acetate
CID 139716822
N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 112842074
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
2-[[[(1-benzylpyrrolidin-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111985242
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
N-[3-[[(2S)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 97045433
2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96538815
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(2-phenylethynyl)-1,3-thiazole
CID 58227463

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide (CID 142692242) is N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide is CC(=O)Nc1ccc(C#Cc2nc3ncccc3nc2OC[C@H]2CCCN2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide?
The InChIKey is BRIQVGGRMKJTDE-RUZDIDTESA-N. The full InChI is InChI=1S/C29H27N5O2/c1-21(35)31-24-14-11-22(12-15-24)13-16-27-29(33-26-10-5-17-30-28(26)32-27)36-20-25-9-6-18-34(25)19-23-7-3-2-4-8-23/h2-5,7-8,10-12,14-15,17,25H,6,9,18-20H2,1H3,(H,31,35)/t25-/m1/s1.
What are the key properties of N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide?
N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide has a molecular weight of 477.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[[(2R)-1-benzylpyrrolidin-2-yl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]acetamide is sourced from PubChem (CID 142692242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).