N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

C49H36F6N10O4S2 — CID 157476456

IUPACN-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCC(=O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)s3)c(-c3ccccc3)ccn12.Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(CO)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C25H18F3N5O2S.C24H18F3N5O2S/c1-14(34)19-13-29-23-21(16(8-11-33(19)23)15-6-4-3-5-7-15)30-24(35)20-12-17(18-9-10-32(2)31-18)22(36-20)25(26,27)28;1-31-9-8-18(30-31)17-11-19(35-21(17)24(25,26)27)23(34)29-20-16(14-5-3-2-4-6-14)7-10-32-15(13-33)12-28-22(20)32/h3-13H,1-2H3,(H,30,35);2-12,33H,13H2,1H3,(H,29,34)
InChIKeyBVQLXLQWFXSUOG-UHFFFAOYSA-N
MW1007.01 g/mol
LogP11.16
Rot. Bonds10

About N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 157476456) has the molecular formula C49H36F6N10O4S2 and a molecular weight of 1007.01 g/mol. Its IUPAC name is N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID157476456
Molecular FormulaC49H36F6N10O4S2
Molecular Weight1007.01 g/mol
Exact Mass1006.23
IUPAC NameN-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCC(=O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)s3)c(-c3ccccc3)ccn12.Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(CO)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C25H18F3N5O2S.C24H18F3N5O2S/c1-14(34)19-13-29-23-21(16(8-11-33(19)23)15-6-4-3-5-7-15)30-24(35)20-12-17(18-9-10-32(2)31-18)22(36-20)25(26,27)28;1-31-9-8-18(30-31)17-11-19(35-21(17)24(25,26)27)23(34)29-20-16(14-5-3-2-4-6-14)7-10-32-15(13-33)12-28-22(20)32/h3-13H,1-2H3,(H,30,35);2-12,33H,13H2,1H3,(H,29,34)
InChIKeyBVQLXLQWFXSUOG-UHFFFAOYSA-N
XLogP11.16
TPSA165.74 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.01
LogP ≤ 511.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

Ethyl 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 122604085
N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
CID 122609185
8-[[4-(1-Methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 122609219
3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588618
8-[[4-(1-Methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 122609220
N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
CID 134432838
ethyl 7-phenyl-8-[[4-(1H-pyrazol-5-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]imidazo[1,2-a]pyridine-3-carboxylate
CID 145166549
lithium;N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide;8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide
CID 158127046
N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;1-(8-amino-7-phenylimidazo[1,2-a]pyridin-3-yl)ethanone;methane;4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 158553728
N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopenta-1,3-diene-1-carboxamide
CID 159228723
5-(2-benzyl-5-methylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-5-(1-phenyl-3-propan-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;5-[1-(2-hydroxyethyl)-3-propan-2-ylpyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide
CID 160943455
N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide;N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;N-(4-fluorophenyl)-3-propan-2-yl-5-thiophen-2-yltriazolo[4,5-b]pyridine-7-carboxamide
CID 158473736

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (CID 157476456) is N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is CC(=O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)s3)c(-c3ccccc3)ccn12.Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(CO)cnc34)sc2C(F)(F)F)n1.
What is the InChIKey of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is BVQLXLQWFXSUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2S.C24H18F3N5O2S/c1-14(34)19-13-29-23-21(16(8-11-33(19)23)15-6-4-3-5-7-15)30-24(35)20-12-17(18-9-10-32(2)31-18)22(36-20)25(26,27)28;1-31-9-8-18(30-31)17-11-19(35-21(17)24(25,26)27)23(34)29-20-16(14-5-3-2-4-6-14)7-10-32-15(13-33)12-28-22(20)32/h3-13H,1-2H3,(H,30,35);2-12,33H,13H2,1H3,(H,29,34).
What are the key properties of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 1007.01 g/mol, XLogP of 11.16, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide;N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 157476456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).