8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

C24H16F3N5O3S — CID 122609220

IUPAC8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(=O)O)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C24H16F3N5O3S/c1-31-9-8-16(30-31)15-11-18(36-20(15)24(25,26)27)22(33)29-19-14(13-5-3-2-4-6-13)7-10-32-17(23(34)35)12-28-21(19)32/h2-12H,1H3,(H,29,33)(H,34,35)
InChIKeyGLZWBISKDQUOGK-UHFFFAOYSA-N
MW511.49 g/mol
LogP5.43
Rot. Bonds5

About 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 122609220) has the molecular formula C24H16F3N5O3S and a molecular weight of 511.49 g/mol. Its IUPAC name is 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID122609220
Molecular FormulaC24H16F3N5O3S
Molecular Weight511.49 g/mol
Exact Mass511.09
IUPAC Name8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(=O)O)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C24H16F3N5O3S/c1-31-9-8-16(30-31)15-11-18(36-20(15)24(25,26)27)22(33)29-19-14(13-5-3-2-4-6-13)7-10-32-17(23(34)35)12-28-21(19)32/h2-12H,1H3,(H,29,33)(H,34,35)
InChIKeyGLZWBISKDQUOGK-UHFFFAOYSA-N
XLogP5.43
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[[[5-Butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]methyl]imidazol-1-yl]acetic acid
CID 67391041
5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
5-(5-ethylthiophen-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000338
N-[2-(diethylamino)ethyl]-8-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 145966266
5-[7-(1-Methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164618457
5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164622155
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide
CID 90683645
3-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylimidazo[1,5-a]pyrimidine-6-carboxylic acid
CID 122604067
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
2,7-dimethyl-N'-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}imidazo[1,2-a]pyridine-3-carbohydrazide
CID 9618132

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 122609220) is 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(=O)O)cnc34)sc2C(F)(F)F)n1.
What is the InChIKey of 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is GLZWBISKDQUOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O3S/c1-31-9-8-16(30-31)15-11-18(36-20(15)24(25,26)27)22(33)29-19-14(13-5-3-2-4-6-13)7-10-32-17(23(34)35)12-28-21(19)32/h2-12H,1H3,(H,29,33)(H,34,35).
What are the key properties of 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 511.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 122609220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).