N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide

C24H20N8O — CID 10026029

IUPACN-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
SMILESC[C@H](Nc1cncc(-n2cnc3ccc(NC(=O)c4cnccn4)cc32)n1)c1ccccc1
InChIInChI=1S/C24H20N8O/c1-16(17-5-3-2-4-6-17)29-22-13-26-14-23(31-22)32-15-28-19-8-7-18(11-21(19)32)30-24(33)20-12-25-9-10-27-20/h2-16H,1H3,(H,29,31)(H,30,33)/t16-/m0/s1
InChIKeyCCSJIKMKDRJYEL-INIZCTEOSA-N
MW436.48 g/mol
LogP4.03
Rot. Bonds6

About N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide

N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide (PubChem CID 10026029) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
PubChem CID10026029
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC NameN-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
SMILESC[C@H](Nc1cncc(-n2cnc3ccc(NC(=O)c4cnccn4)cc32)n1)c1ccccc1
InChIInChI=1S/C24H20N8O/c1-16(17-5-3-2-4-6-17)29-22-13-26-14-23(31-22)32-15-28-19-8-7-18(11-21(19)32)30-24(33)20-12-25-9-10-27-20/h2-16H,1H3,(H,29,31)(H,30,33)/t16-/m0/s1
InChIKeyCCSJIKMKDRJYEL-INIZCTEOSA-N
XLogP4.03
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
CID 10384652
6-imidazo[4,5-c]pyridin-3-yl-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 10358390
2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
CID 85152916
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930
N-(3-imidazol-1-ylpropyl)-3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10479664
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
CID 85081614
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
CID 10252763
3-phenyl-3-[6-(pyrazine-2-carbonylamino)benzimidazol-1-yl]propanoic acid
CID 67354395

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide (CID 10026029) is N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide is C[C@H](Nc1cncc(-n2cnc3ccc(NC(=O)c4cnccn4)cc32)n1)c1ccccc1.
What is the InChIKey of N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide?
The InChIKey is CCSJIKMKDRJYEL-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20N8O/c1-16(17-5-3-2-4-6-17)29-22-13-26-14-23(31-22)32-15-28-19-8-7-18(11-21(19)32)30-24(33)20-12-25-9-10-27-20/h2-16H,1H3,(H,29,31)(H,30,33)/t16-/m0/s1.
What are the key properties of N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide?
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 10026029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).