6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H22ClFN6O — CID 165126398

IUPAC6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(C)N2)c(F)c1
InChIInChI=1S/C21H22ClFN6O/c1-3-17-20(28-12-15(22)5-7-19(28)26-17)21(30)25-11-14-4-6-18(16(23)10-14)29-9-8-24-13(2)27-29/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,24,27)(H,25,30)
InChIKeyDYLMOWKVDFRFEP-UHFFFAOYSA-N
MW428.90 g/mol
LogP3.36
Rot. Bonds5

About 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126398) has the molecular formula C21H22ClFN6O and a molecular weight of 428.90 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165126398
Molecular FormulaC21H22ClFN6O
Molecular Weight428.90 g/mol
Exact Mass428.15
IUPAC Name6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(C)N2)c(F)c1
InChIInChI=1S/C21H22ClFN6O/c1-3-17-20(28-12-15(22)5-7-19(28)26-17)21(30)25-11-14-4-6-18(16(23)10-14)29-9-8-24-13(2)27-29/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,24,27)(H,25,30)
InChIKeyDYLMOWKVDFRFEP-UHFFFAOYSA-N
XLogP3.36
TPSA74.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[amino(2-aminoethyl)amino]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-[2-[ethanimidoyl(trifluoromethylsulfonyl)amino]ethylamino]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methoxy-N,N-dimethylpropan-2-amine
CID 167635204
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
6-chloro-2-ethyl-N-[[3-fluoro-4-[(3S)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163202133
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-propan-2-yl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 163202192
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 165413743
N-[[4-[1-(5-butoxy-2-pyridinyl)piperidin-4-yl]-3-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 163202250
[1-[4-[[(11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carbonyl)amino]methyl]-2-fluorophenyl]-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 156649146
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442204
6-chloro-2-ethyl-N-[[4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163564312
6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194026

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165126398) is 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(C)N2)c(F)c1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DYLMOWKVDFRFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN6O/c1-3-17-20(28-12-15(22)5-7-19(28)26-17)21(30)25-11-14-4-6-18(16(23)10-14)29-9-8-24-13(2)27-29/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,24,27)(H,25,30).
What are the key properties of 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).