[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C18H19N7O — CID 110105873

IUPAC[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCNc1cncc(C2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C18H19N7O/c1-19-17-11-21-10-15(22-17)16-5-3-7-25(16)18(26)14-8-13(23-24-14)12-4-2-6-20-9-12/h2,4,6,8-11,16H,3,5,7H2,1H3,(H,19,22)(H,23,24)
InChIKeyLRPMDXACIIFTFZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.28
Rot. Bonds4

About [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 110105873) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID110105873
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCNc1cncc(C2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C18H19N7O/c1-19-17-11-21-10-15(22-17)16-5-3-7-25(16)18(26)14-8-13(23-24-14)12-4-2-6-20-9-12/h2,4,6,8-11,16H,3,5,7H2,1H3,(H,19,22)(H,23,24)
InChIKeyLRPMDXACIIFTFZ-UHFFFAOYSA-N
XLogP2.28
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 124940543
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 91820880
N-[4-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127247023
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
1,3-benzodioxol-5-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652539
(2-cyclopropylpyrimidin-5-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 127247024
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652542
3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 124946295
[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124998935
(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 175652538

Frequently Asked Questions

What is the IUPAC name of [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 110105873) is [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is CNc1cncc(C2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)n1.
What is the InChIKey of [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is LRPMDXACIIFTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-19-17-11-21-10-15(22-17)16-5-3-7-25(16)18(26)14-8-13(23-24-14)12-4-2-6-20-9-12/h2,4,6,8-11,16H,3,5,7H2,1H3,(H,19,22)(H,23,24).
What are the key properties of [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 349.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110105873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).