3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide

C54H44N12O6 — CID 143998231

IUPAC3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C27H22N6O3/c2*1-17(16-19-6-4-5-13-28-19)31-26(35)23-27(30-15-14-29-23)36-20-11-9-18(10-12-20)24(34)25-32-21-7-2-3-8-22(21)33-25/h2*2-15,17H,16H2,1H3,(H,31,35)(H,32,33)/t17-;/m0./s1
InChIKeyQZBHXDQDDCISAD-LMOVPXPDSA-N
MW957.02 g/mol
LogP8.26
Rot. Bonds16

About 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide

3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide (PubChem CID 143998231) has the molecular formula C54H44N12O6 and a molecular weight of 957.02 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide
PubChem CID143998231
Molecular FormulaC54H44N12O6
Molecular Weight957.02 g/mol
Exact Mass956.35
IUPAC Name3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C27H22N6O3/c2*1-17(16-19-6-4-5-13-28-19)31-26(35)23-27(30-15-14-29-23)36-20-11-9-18(10-12-20)24(34)25-32-21-7-2-3-8-22(21)33-25/h2*2-15,17H,16H2,1H3,(H,31,35)(H,32,33)/t17-;/m0./s1
InChIKeyQZBHXDQDDCISAD-LMOVPXPDSA-N
XLogP8.26
TPSA245.50 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.02
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
(1H-benzo[d]imidazol-2-yl)(4-(3-(2-(trifluoromethyl)pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 46207696
1H-benzimidazol-2-yl-[4-[3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 46208071
1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208072
1H-benzimidazol-2-yl-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208073
1H-benzimidazol-2-yl-[4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208209
1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 46208210

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide (CID 143998231) is 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide is CC(Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is QZBHXDQDDCISAD-LMOVPXPDSA-N. The full InChI is InChI=1S/2C27H22N6O3/c2*1-17(16-19-6-4-5-13-28-19)31-26(35)23-27(30-15-14-29-23)36-20-11-9-18(10-12-20)24(34)25-32-21-7-2-3-8-22(21)33-25/h2*2-15,17H,16H2,1H3,(H,31,35)(H,32,33)/t17-;/m0./s1.
What are the key properties of 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide?
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 957.02 g/mol, XLogP of 8.26, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide;3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 143998231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).