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

C38H38N8O — CID 52934992

IUPAC2-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
SMILESCC(C)N1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5ccccn45)n3)cc2)CC1
InChIInChI=1S/C38H38N8O/c1-27(2)44-21-23-45(24-22-44)32-16-14-30(15-17-32)41-38-39-19-18-33(42-38)37-36(43-34-13-6-7-20-46(34)37)29-11-8-12-31(26-29)40-35(47)25-28-9-4-3-5-10-28/h3-20,26-27H,21-25H2,1-2H3,(H,40,47)(H,39,41,42)
InChIKeyNBHGHCSNAILFBO-UHFFFAOYSA-N
MW622.78 g/mol
LogP6.91
Rot. Bonds9

About 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

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 (PubChem CID 52934992) has the molecular formula C38H38N8O and a molecular weight of 622.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID52934992
Molecular FormulaC38H38N8O
Molecular Weight622.78 g/mol
Exact Mass622.32
IUPAC Name2-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
SMILESCC(C)N1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5ccccn45)n3)cc2)CC1
InChIInChI=1S/C38H38N8O/c1-27(2)44-21-23-45(24-22-44)32-16-14-30(15-17-32)41-38-39-19-18-33(42-38)37-36(43-34-13-6-7-20-46(34)37)29-11-8-12-31(26-29)40-35(47)25-28-9-4-3-5-10-28/h3-20,26-27H,21-25H2,1-2H3,(H,40,47)(H,39,41,42)
InChIKeyNBHGHCSNAILFBO-UHFFFAOYSA-N
XLogP6.91
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.78
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-phenylacetamide
CID 52933828
N-[3-[3-[2-[[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-phenylacetamide
CID 67161585
N-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341949
trans-(1R,2R)-2-phenyl-N-[3-[5-[2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropane-1-carboxamide
CID 67005608
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
N-[3-[5-[2-(4-chloroanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 42634166
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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)anilino]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341859
N-[3-[5-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341845
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
N-[3-[5-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 67005932

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5ccccn45)n3)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is NBHGHCSNAILFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N8O/c1-27(2)44-21-23-45(24-22-44)32-16-14-30(15-17-32)41-38-39-19-18-33(42-38)37-36(43-34-13-6-7-20-46(34)37)29-11-8-12-31(26-29)40-35(47)25-28-9-4-3-5-10-28/h3-20,26-27H,21-25H2,1-2H3,(H,40,47)(H,39,41,42).
What are the key properties of 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?
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 has a molecular weight of 622.78 g/mol, XLogP of 6.91, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 52934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).