[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C21H28N6O — CID 127249016

IUPAC[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3cc(N4CCN(C)CC4)cc(C)n3)C2)cn1
InChIInChI=1S/C21H28N6O/c1-15-10-18(26-8-6-25(3)7-9-26)11-19(24-15)17-4-5-27(14-17)21(28)20-13-22-16(2)12-23-20/h10-13,17H,4-9,14H2,1-3H3
InChIKeyQSHOPNLKXYCOOK-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.87
Rot. Bonds3

About [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 127249016) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID127249016
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3cc(N4CCN(C)CC4)cc(C)n3)C2)cn1
InChIInChI=1S/C21H28N6O/c1-15-10-18(26-8-6-25(3)7-9-26)11-19(24-15)17-4-5-27(14-17)21(28)20-13-22-16(2)12-23-20/h10-13,17H,4-9,14H2,1-3H3
InChIKeyQSHOPNLKXYCOOK-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 92627535
(5-methylpyrazin-2-yl)-[3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 46973257
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124986912
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124976468
1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
CID 110098404
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523

Frequently Asked Questions

What is the IUPAC name of [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 127249016) is [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC(c3cc(N4CCN(C)CC4)cc(C)n3)C2)cn1.
What is the InChIKey of [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is QSHOPNLKXYCOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15-10-18(26-8-6-25(3)7-9-26)11-19(24-15)17-4-5-27(14-17)21(28)20-13-22-16(2)12-23-20/h10-13,17H,4-9,14H2,1-3H3.
What are the key properties of [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 380.50 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 127249016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).