N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

C34H30F3N7OS — CID 67161190

IUPACN-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCN(C)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nc4cc(C(F)(F)F)ccn34)n2)c1
InChIInChI=1S/C34H30F3N7OS/c1-43(2)15-12-22-6-3-8-25(18-22)40-33-38-14-11-28(41-33)32-31(42-29-20-24(34(35,36)37)13-16-44(29)32)23-7-4-9-26(19-23)39-30(45)21-27-10-5-17-46-27/h3-11,13-14,16-20H,12,15,21H2,1-2H3,(H,39,45)(H,38,40,41)
InChIKeySVDGLDBMAXYXRO-UHFFFAOYSA-N
MW641.72 g/mol
LogP7.57
Rot. Bonds10

About N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 67161190) has the molecular formula C34H30F3N7OS and a molecular weight of 641.72 g/mol. Its IUPAC name is N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID67161190
Molecular FormulaC34H30F3N7OS
Molecular Weight641.72 g/mol
Exact Mass641.22
IUPAC NameN-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCN(C)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nc4cc(C(F)(F)F)ccn34)n2)c1
InChIInChI=1S/C34H30F3N7OS/c1-43(2)15-12-22-6-3-8-25(18-22)40-33-38-14-11-28(41-33)32-31(42-29-20-24(34(35,36)37)13-16-44(29)32)23-7-4-9-26(19-23)39-30(45)21-27-10-5-17-46-27/h3-11,13-14,16-20H,12,15,21H2,1-2H3,(H,39,45)(H,38,40,41)
InChIKeySVDGLDBMAXYXRO-UHFFFAOYSA-N
XLogP7.57
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.72
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide (CID 67161190) is N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide is CN(C)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nc4cc(C(F)(F)F)ccn34)n2)c1.
What is the InChIKey of N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is SVDGLDBMAXYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N7OS/c1-43(2)15-12-22-6-3-8-25(18-22)40-33-38-14-11-28(41-33)32-31(42-29-20-24(34(35,36)37)13-16-44(29)32)23-7-4-9-26(19-23)39-30(45)21-27-10-5-17-46-27/h3-11,13-14,16-20H,12,15,21H2,1-2H3,(H,39,45)(H,38,40,41).
What are the key properties of N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 641.72 g/mol, XLogP of 7.57, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 67161190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).