2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

C33H30N8OS — CID 67161259

IUPAC2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(C4CCNC4)cc3)n2)c1)c1cccs1
InChIInChI=1S/C33H30N8OS/c34-29(27-7-4-18-43-27)32(42)37-25-6-3-5-22(19-25)30-31(41-17-2-1-8-28(41)40-30)26-14-16-36-33(39-26)38-24-11-9-21(10-12-24)23-13-15-35-20-23/h1-12,14,16-19,23,29,35H,13,15,20,34H2,(H,37,42)(H,36,38,39)
InChIKeyZOWGBXBKWUSBJP-UHFFFAOYSA-N
MW586.73 g/mol
LogP5.98
Rot. Bonds8

About 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 67161259) has the molecular formula C33H30N8OS and a molecular weight of 586.73 g/mol. Its IUPAC name is 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID67161259
Molecular FormulaC33H30N8OS
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(C4CCNC4)cc3)n2)c1)c1cccs1
InChIInChI=1S/C33H30N8OS/c34-29(27-7-4-18-43-27)32(42)37-25-6-3-5-22(19-25)30-31(41-17-2-1-8-28(41)40-30)26-14-16-36-33(39-26)38-24-11-9-21(10-12-24)23-13-15-35-20-23/h1-12,14,16-19,23,29,35H,13,15,20,34H2,(H,37,42)(H,36,38,39)
InChIKeyZOWGBXBKWUSBJP-UHFFFAOYSA-N
XLogP5.98
TPSA122.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 55.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 67161224
2-chloro-N-[3-[3-[2-(3-piperidin-4-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
CID 67161651
2-chloro-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
CID 67161609
2,3-difluoro-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
CID 67161400
N-[3-[3-[2-[4-[2-[(2-aminoacetyl)amino]ethyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 123798182
5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide
CID 67163353
2-phenyl-N-[3-[3-[2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]acetamide
CID 52934992
N-[3-[3-[2-[3-(2-amino-2-oxoethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-phenylacetamide
CID 67161490
N-[3-[3-[2-[4-(1-ethylpiperazin-1-ium-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-(1-methylimidazol-4-yl)acetamide
CID 67160356
N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
CID 67162707
N-[3-[5-(2-anilinopyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 46886311
N-[3-[3-[2-[[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52934755

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide (CID 67161259) is 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide is NC(C(=O)Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(C4CCNC4)cc3)n2)c1)c1cccs1.
What is the InChIKey of 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZOWGBXBKWUSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N8OS/c34-29(27-7-4-18-43-27)32(42)37-25-6-3-5-22(19-25)30-31(41-17-2-1-8-28(41)40-30)26-14-16-36-33(39-26)38-24-11-9-21(10-12-24)23-13-15-35-20-23/h1-12,14,16-19,23,29,35H,13,15,20,34H2,(H,37,42)(H,36,38,39).
What are the key properties of 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 586.73 g/mol, XLogP of 5.98, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[3-[2-(4-pyrrolidin-3-ylanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 67161259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).