N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H17F3N6O — CID 176677255

IUPACN-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(/C(N)=N/c2cc(C(F)(F)F)ccn2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C22H17F3N6O/c1-13-5-6-14(20(26)30-18-11-15(7-8-27-18)22(23,24)25)10-16(13)29-21(32)17-12-28-19-4-2-3-9-31(17)19/h2-12H,1H3,(H,29,32)(H2,26,27,30)
InChIKeyFUTDWOQOOGFGBV-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.35
Rot. Bonds4

About N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 176677255) has the molecular formula C22H17F3N6O and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID176677255
Molecular FormulaC22H17F3N6O
Molecular Weight438.41 g/mol
Exact Mass438.14
IUPAC NameN-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(/C(N)=N/c2cc(C(F)(F)F)ccn2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C22H17F3N6O/c1-13-5-6-14(20(26)30-18-11-15(7-8-27-18)22(23,24)25)10-16(13)29-21(32)17-12-28-19-4-2-3-9-31(17)19/h2-12H,1H3,(H,29,32)(H2,26,27,30)
InChIKeyFUTDWOQOOGFGBV-UHFFFAOYSA-N
XLogP4.35
TPSA97.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(1S)-2-methyl-1-[[3-(trifluoromethyl)benzoyl]amino]propyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771694
N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123197112
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
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
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
CID 71280675
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
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-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 176677255) is N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(/C(N)=N/c2cc(C(F)(F)F)ccn2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FUTDWOQOOGFGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O/c1-13-5-6-14(20(26)30-18-11-15(7-8-27-18)22(23,24)25)10-16(13)29-21(32)17-12-28-19-4-2-3-9-31(17)19/h2-12H,1H3,(H,29,32)(H2,26,27,30).
What are the key properties of N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[N'-[4-(trifluoromethyl)-2-pyridinyl]carbamimidoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 176677255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).