(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone

C17H18N6O — CID 92627535

IUPAC(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CC[C@@H](c3cc4ncc(C)nc4[nH]3)C2)cn1
InChIInChI=1S/C17H18N6O/c1-10-6-20-15(8-18-10)17(24)23-4-3-12(9-23)13-5-14-16(22-13)21-11(2)7-19-14/h5-8,12H,3-4,9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyWRYRSRGNAFDGQX-GFCCVEGCSA-N
MW322.37 g/mol
LogP1.99
Rot. Bonds2

About (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone (PubChem CID 92627535) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
PubChem CID92627535
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CC[C@@H](c3cc4ncc(C)nc4[nH]3)C2)cn1
InChIInChI=1S/C17H18N6O/c1-10-6-20-15(8-18-10)17(24)23-4-3-12(9-23)13-5-14-16(22-13)21-11(2)7-19-14/h5-8,12H,3-4,9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyWRYRSRGNAFDGQX-GFCCVEGCSA-N
XLogP1.99
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(5-methylpyrazin-2-yl)-[3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 46973257
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 92577985
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 127249016
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 63264092
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone (CID 92627535) is (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone is Cc1cnc(C(=O)N2CC[C@@H](c3cc4ncc(C)nc4[nH]3)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WRYRSRGNAFDGQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N6O/c1-10-6-20-15(8-18-10)17(24)23-4-3-12(9-23)13-5-14-16(22-13)21-11(2)7-19-14/h5-8,12H,3-4,9H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92627535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).