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

C24H17F3N6O2S — CID 122609219

IUPAC8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(N)=O)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C24H17F3N6O2S/c1-32-9-8-16(31-32)15-11-18(36-20(15)24(25,26)27)23(35)30-19-14(13-5-3-2-4-6-13)7-10-33-17(21(28)34)12-29-22(19)33/h2-12H,1H3,(H2,28,34)(H,30,35)
InChIKeyLJENHHUXZJMYOU-UHFFFAOYSA-N
MW510.50 g/mol
LogP4.83
Rot. Bonds5

About 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-carboxamide (PubChem CID 122609219) has the molecular formula C24H17F3N6O2S and a molecular weight of 510.50 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-carboxamide.

Molecular Properties

Compound Name8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122609219
Molecular FormulaC24H17F3N6O2S
Molecular Weight510.50 g/mol
Exact Mass510.11
IUPAC Name8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(N)=O)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C24H17F3N6O2S/c1-32-9-8-16(31-32)15-11-18(36-20(15)24(25,26)27)23(35)30-19-14(13-5-3-2-4-6-13)7-10-33-17(21(28)34)12-29-22(19)33/h2-12H,1H3,(H2,28,34)(H,30,35)
InChIKeyLJENHHUXZJMYOU-UHFFFAOYSA-N
XLogP4.83
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.50
LogP ≤ 54.83
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-carboxamide?
The IUPAC name of 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide (CID 122609219) is 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide.
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-carboxamide?
The canonical SMILES for 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(C(N)=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-carboxamide?
The InChIKey is LJENHHUXZJMYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O2S/c1-32-9-8-16(31-32)15-11-18(36-20(15)24(25,26)27)23(35)30-19-14(13-5-3-2-4-6-13)7-10-33-17(21(28)34)12-29-22(19)33/h2-12H,1H3,(H2,28,34)(H,30,35).
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-carboxamide?
8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 510.50 g/mol, XLogP of 4.83, 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-carboxamide is sourced from PubChem (CID 122609219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).