N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C20H13F3N8O2 — CID 90176020

IUPACN-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESN/N=N/C(=O)c1ccc(NC(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nc1
InChIInChI=1S/C20H13F3N8O2/c21-20(22,23)13-4-1-11(2-5-13)15-8-27-17-9-25-14(10-31(15)17)19(33)28-16-6-3-12(7-26-16)18(32)29-30-24/h1-10H,(H2,24,29,32)(H,26,28,33)
InChIKeyMFNSMFZQLIOEFY-UHFFFAOYSA-N
MW454.37 g/mol
LogP3.53
Rot. Bonds4

About N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90176020) has the molecular formula C20H13F3N8O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90176020
Molecular FormulaC20H13F3N8O2
Molecular Weight454.37 g/mol
Exact Mass454.11
IUPAC NameN-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESN/N=N/C(=O)c1ccc(NC(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nc1
InChIInChI=1S/C20H13F3N8O2/c21-20(22,23)13-4-1-11(2-5-13)15-8-27-17-9-25-14(10-31(15)17)19(33)28-16-6-3-12(7-26-16)18(32)29-30-24/h1-10H,(H2,24,29,32)(H,26,28,33)
InChIKeyMFNSMFZQLIOEFY-UHFFFAOYSA-N
XLogP3.53
TPSA139.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157578
N-[2-(4-fluorophenyl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157225
N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157138
N-(4-methylperoxysulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 123795838
N-(6-chloro-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74767851
N-(4-isocyanophenyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 123830337
N-(6-chloro-5-methyl-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157070
N-(3-fluoro-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157696
N-(5-bromopyrazin-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74766869
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
CID 90157442
N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157996

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90176020) is N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is N/N=N/C(=O)c1ccc(NC(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nc1.
What is the InChIKey of N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is MFNSMFZQLIOEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N8O2/c21-20(22,23)13-4-1-11(2-5-13)15-8-27-17-9-25-14(10-31(15)17)19(33)28-16-6-3-12(7-26-16)18(32)29-30-24/h1-10H,(H2,24,29,32)(H,26,28,33).
What are the key properties of N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 454.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydrazinylidenecarbamoyl)-2-pyridinyl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90176020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).