N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H25F2N7O2 — CID 176677221

IUPACN-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(/C(N)=N/C2=NCCN(C(=O)C3CC(F)(F)C3)C2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C25H25F2N7O2/c1-15-5-6-16(10-18(15)31-23(35)19-13-30-21-4-2-3-8-34(19)21)22(28)32-20-14-33(9-7-29-20)24(36)17-11-25(26,27)12-17/h2-6,8,10,13,17H,7,9,11-12,14H2,1H3,(H,31,35)(H2,28,29,32)
InChIKeyMFNSHSWLXXHCSV-UHFFFAOYSA-N
MW493.52 g/mol
LogP2.89
Rot. Bonds4

About N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 176677221) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID176677221
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC NameN-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(/C(N)=N/C2=NCCN(C(=O)C3CC(F)(F)C3)C2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C25H25F2N7O2/c1-15-5-6-16(10-18(15)31-23(35)19-13-30-21-4-2-3-8-34(19)21)22(28)32-20-14-33(9-7-29-20)24(36)17-11-25(26,27)12-17/h2-6,8,10,13,17H,7,9,11-12,14H2,1H3,(H,31,35)(H2,28,29,32)
InChIKeyMFNSHSWLXXHCSV-UHFFFAOYSA-N
XLogP2.89
TPSA117.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123638257
N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176677255
N-[5-[(2Z)-2-[(3,3-difluorocyclobutyl)hydrazinylidene]ethanimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular hydrogen;hydroiodide
CID 176677204
N-[5-[N-(1-carbamimidoylazetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515152
N-[5-[N-(cyclopropanecarboximidoyl)-N-cyclopropylcarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176677272
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;N-[2-methyl-5-[5-(2-oxospiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine;2-oxospiro[3.3]heptane-6-carboxylic acid;hydrofluoride
CID 172971853
5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine
CID 172962619
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid
CID 172962600
methyl 3-[6-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]pyridazin-3-yl]azetidine-1-carboxylate
CID 171795393
N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176623816
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
(2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 172975026

Frequently Asked Questions

What is the IUPAC name of N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 176677221) is N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(/C(N)=N/C2=NCCN(C(=O)C3CC(F)(F)C3)C2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MFNSHSWLXXHCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-15-5-6-16(10-18(15)31-23(35)19-13-30-21-4-2-3-8-34(19)21)22(28)32-20-14-33(9-7-29-20)24(36)17-11-25(26,27)12-17/h2-6,8,10,13,17H,7,9,11-12,14H2,1H3,(H,31,35)(H2,28,29,32).
What are the key properties of N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[N'-[4-(3,3-difluorocyclobutanecarbonyl)-3,5-dihydro-2H-pyrazin-6-yl]carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 176677221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).