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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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).