2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C23H23F3N6O3 — CID 154636463

IUPAC2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(NCCO)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C23H23F3N6O3/c1-31-12-16(10-30-31)14-3-5-32-18(11-28-20(32)9-14)15-7-17(27-4-6-33)21(19(8-15)35-2)22(34)29-13-23(24,25)26/h3,5,7-12,27,33H,4,6,13H2,1-2H3,(H,29,34)
InChIKeyJSMCBHDQYQRUGH-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.11
Rot. Bonds8

About 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 154636463) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID154636463
Molecular FormulaC23H23F3N6O3
Molecular Weight488.47 g/mol
Exact Mass488.18
IUPAC Name2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(NCCO)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C23H23F3N6O3/c1-31-12-16(10-30-31)14-3-5-32-18(11-28-20(32)9-14)15-7-17(27-4-6-33)21(19(8-15)35-2)22(34)29-13-23(24,25)26/h3,5,7-12,27,33H,4,6,13H2,1-2H3,(H,29,34)
InChIKeyJSMCBHDQYQRUGH-UHFFFAOYSA-N
XLogP3.11
TPSA105.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-6-(methylamino)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 154636413
2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid
CID 154636349
2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 154636367
3-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]azetidine-1-carboxylic acid
CID 175047443
4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 155727737
N-cyclopropyl-2-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-(propan-2-ylamino)benzamide
CID 154636348
8-methoxy-6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 151186168
methyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoate
CID 159801814
oxolan-3-yl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate
CID 158080586
3-(3,5-dichlorophenyl)-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164930853
1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143908026
4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-ethyl-2,6-dimethoxybenzamide
CID 155727685

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 154636463) is 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(NCCO)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JSMCBHDQYQRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O3/c1-31-12-16(10-30-31)14-3-5-32-18(11-28-20(32)9-14)15-7-17(27-4-6-33)21(19(8-15)35-2)22(34)29-13-23(24,25)26/h3,5,7-12,27,33H,4,6,13H2,1-2H3,(H,29,34).
What are the key properties of 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 154636463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).