[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen

C20H28N8O — CID 161182532

IUPAC[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
SMILESNc1ncc(N2CCN(C(=O)N3CCCC3)CC2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H]
InChIInChI=1S/C20H24N8O.2H2/c21-18-17(19-23-14-5-1-2-6-15(14)24-19)25-16(13-22-18)26-9-11-28(12-10-26)20(29)27-7-3-4-8-27;;/h1-2,5-6,13H,3-4,7-12H2,(H2,21,22)(H,23,24);2*1H
InChIKeyUSQTUGICHYTCOL-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.43
Rot. Bonds2

About [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen (PubChem CID 161182532) has the molecular formula C20H28N8O and a molecular weight of 396.50 g/mol. Its IUPAC name is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen.

Molecular Properties

Compound Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
PubChem CID161182532
Molecular FormulaC20H28N8O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
SMILESNc1ncc(N2CCN(C(=O)N3CCCC3)CC2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H]
InChIInChI=1S/C20H24N8O.2H2/c21-18-17(19-23-14-5-1-2-6-15(14)24-19)25-16(13-22-18)26-9-11-28(12-10-26)20(29)27-7-3-4-8-27;;/h1-2,5-6,13H,3-4,7-12H2,(H2,21,22)(H,23,24);2*1H
InChIKeyUSQTUGICHYTCOL-UHFFFAOYSA-N
XLogP2.43
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen
CID 159357802
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclohexylmethanone;molecular hydrogen
CID 159496567
N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 66744263
1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 163684349
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazine-1-carboxamide
CID 123643221
3-amino-1-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;molecular hydrogen
CID 160531501
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
CID 66745483
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide
CID 66744273
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;molecular hydrogen
CID 161401655
5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine
CID 66744360
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen?
The IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen (CID 161182532) is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen.
What is the SMILES notation for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen?
The canonical SMILES for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen is Nc1ncc(N2CCN(C(=O)N3CCCC3)CC2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].
What is the InChIKey of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen?
The InChIKey is USQTUGICHYTCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O.2H2/c21-18-17(19-23-14-5-1-2-6-15(14)24-19)25-16(13-22-18)26-9-11-28(12-10-26)20(29)27-7-3-4-8-27;;/h1-2,5-6,13H,3-4,7-12H2,(H2,21,22)(H,23,24);2*1H.
What are the key properties of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen?
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen has a molecular weight of 396.50 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen is sourced from PubChem (CID 161182532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).