3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

C26H25F3N4O3S — CID 59588407

IUPAC3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(F)(F)F)cc3)cccn12
InChIInChI=1S/C26H25F3N4O3S/c1-3-19(13-34)31-25(36)22-21(17-10-12-37-14-17)32-23-20(5-4-11-33(22)23)24(35)30-15(2)16-6-8-18(9-7-16)26(27,28)29/h4-12,14-15,19,34H,3,13H2,1-2H3,(H,30,35)(H,31,36)/t15?,19-/m0/s1
InChIKeyICWGUZCUHLOLKI-FUBQLUNQSA-N
MW530.57 g/mol
LogP5.07
Rot. Bonds8

About 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588407) has the molecular formula C26H25F3N4O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588407
Molecular FormulaC26H25F3N4O3S
Molecular Weight530.57 g/mol
Exact Mass530.16
IUPAC Name3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(F)(F)F)cc3)cccn12
InChIInChI=1S/C26H25F3N4O3S/c1-3-19(13-34)31-25(36)22-21(17-10-12-37-14-17)32-23-20(5-4-11-33(22)23)24(35)30-15(2)16-6-8-18(9-7-16)26(27,28)29/h4-12,14-15,19,34H,3,13H2,1-2H3,(H,30,35)(H,31,36)/t15?,19-/m0/s1
InChIKeyICWGUZCUHLOLKI-FUBQLUNQSA-N
XLogP5.07
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.57
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588407) is 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(F)(F)F)cc3)cccn12.
What is the InChIKey of 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is ICWGUZCUHLOLKI-FUBQLUNQSA-N. The full InChI is InChI=1S/C26H25F3N4O3S/c1-3-19(13-34)31-25(36)22-21(17-10-12-37-14-17)32-23-20(5-4-11-33(22)23)24(35)30-15(2)16-6-8-18(9-7-16)26(27,28)29/h4-12,14-15,19,34H,3,13H2,1-2H3,(H,30,35)(H,31,36)/t15?,19-/m0/s1.
What are the key properties of 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 530.57 g/mol, XLogP of 5.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-yl-8-N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).