3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C26H23N7O2 — CID 90157046

IUPAC3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(NC(=O)C4(CN)CC4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C26H23N7O2/c1-32(20-8-2-17(12-27)3-9-20)24(34)21-15-33-22(13-30-23(33)14-29-21)18-4-6-19(7-5-18)31-25(35)26(16-28)10-11-26/h2-9,13-15H,10-11,16,28H2,1H3,(H,31,35)
InChIKeyAIWNVFJKFPGBTM-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.22
Rot. Bonds6

About 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157046) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157046
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(NC(=O)C4(CN)CC4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C26H23N7O2/c1-32(20-8-2-17(12-27)3-9-20)24(34)21-15-33-22(13-30-23(33)14-29-21)18-4-6-19(7-5-18)31-25(35)26(16-28)10-11-26/h2-9,13-15H,10-11,16,28H2,1H3,(H,31,35)
InChIKeyAIWNVFJKFPGBTM-UHFFFAOYSA-N
XLogP3.22
TPSA129.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157372
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74766791
N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157607
N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157255
3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157437
N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157374
3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74766720
N-(4-cyanophenyl)-3-[4-(cyclopropylcarbamoyl)phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157441
N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157918
N-(4-ethylphenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 123651655
3-(4-carbamoylphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74767352
3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157297

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 90157046) is 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(NC(=O)C4(CN)CC4)cc3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is AIWNVFJKFPGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-32(20-8-2-17(12-27)3-9-20)24(34)21-15-33-22(13-30-23(33)14-29-21)18-4-6-19(7-5-18)31-25(35)26(16-28)10-11-26/h2-9,13-15H,10-11,16,28H2,1H3,(H,31,35).
What are the key properties of 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).