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

C25H18F3N5O2S — CID 134432838

IUPACN-(3-acetyl-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
InChIInChI=1S/C25H18F3N5O2S/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/h3-13H,1-2H3,(H,30,35)
InChIKeyNGJYCKLKUOJNAJ-UHFFFAOYSA-N
MW509.51 g/mol
LogP5.94
Rot. Bonds5

About N-(3-acetyl-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 (PubChem CID 134432838) has the molecular formula C25H18F3N5O2S and a molecular weight of 509.51 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.

Molecular Properties

Compound NameN-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID134432838
Molecular FormulaC25H18F3N5O2S
Molecular Weight509.51 g/mol
Exact Mass509.11
IUPAC NameN-(3-acetyl-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
InChIInChI=1S/C25H18F3N5O2S/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/h3-13H,1-2H3,(H,30,35)
InChIKeyNGJYCKLKUOJNAJ-UHFFFAOYSA-N
XLogP5.94
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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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?
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 (CID 134432838) is N-(3-acetyl-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?
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 is CC(=O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)s3)c(-c3ccccc3)ccn12.
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?
The InChIKey is NGJYCKLKUOJNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2S/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/h3-13H,1-2H3,(H,30,35).
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-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 509.51 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 134432838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).