3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine

C62H64N18O5 — CID 159696656

IUPAC3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine
SMILESCN1CCNCC1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)O)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C31H31N9O2.C26H21N7O3.C5H12N2/c1-20-28(40-19-22(9-12-27(40)34-20)30(42)39-17-15-38(2)16-18-39)26-13-14-33-31(37-26)35-23-10-7-21(8-11-23)29(41)36-25-6-4-3-5-24(25)32;1-15-23(33-14-17(25(35)36)8-11-22(33)29-15)21-12-13-28-26(32-21)30-18-9-6-16(7-10-18)24(34)31-20-5-3-2-4-19(20)27;1-7-4-2-6-3-5-7/h3-14,19H,15-18,32H2,1-2H3,(H,36,41)(H,33,35,37);2-14H,27H2,1H3,(H,31,34)(H,35,36)(H,28,30,32);6H,2-5H2,1H3
InChIKeyMXCCNIPDRXJRRY-UHFFFAOYSA-N
MW1141.31 g/mol
LogP7.96
Rot. Bonds12

About 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine

3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine (PubChem CID 159696656) has the molecular formula C62H64N18O5 and a molecular weight of 1141.31 g/mol. Its IUPAC name is 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine.

Molecular Properties

Compound Name3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine
PubChem CID159696656
Molecular FormulaC62H64N18O5
Molecular Weight1141.31 g/mol
Exact Mass1140.53
IUPAC Name3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine
SMILESCN1CCNCC1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)O)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C31H31N9O2.C26H21N7O3.C5H12N2/c1-20-28(40-19-22(9-12-27(40)34-20)30(42)39-17-15-38(2)16-18-39)26-13-14-33-31(37-26)35-23-10-7-21(8-11-23)29(41)36-25-6-4-3-5-24(25)32;1-15-23(33-14-17(25(35)36)8-11-22(33)29-15)21-12-13-28-26(32-21)30-18-9-6-16(7-10-18)24(34)31-20-5-3-2-4-19(20)27;1-7-4-2-6-3-5-7/h3-14,19H,15-18,32H2,1-2H3,(H,36,41)(H,33,35,37);2-14H,27H2,1H3,(H,31,34)(H,35,36)(H,28,30,32);6H,2-5H2,1H3
InChIKeyMXCCNIPDRXJRRY-UHFFFAOYSA-N
XLogP7.96
TPSA296.58 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001141.31
LogP ≤ 57.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine with MolForge

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Related Compounds

4-{2-trans-(4-Amino-cyclohexylamino)-6-[4-(piperidine-1-carbonyl)-phenylamino]-purin-9-yl}-benzoic acid
CID 24762170
2-[4-[[2-Ethyl-4-methyl-6-(2-phenylethylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155511490
2-[5-[[2-Butyl-4-methyl-6-(2-phenylethylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155511757
2-[4-[[2-Butyl-4-methyl-6-(2-phenylethylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155515239
2-[5-[[4-Methyl-6-(3-phenylpropylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155515727
2-[4-[[4-Methyl-6-(2-phenylethylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155519343
2-[5-[[2-Butyl-4-methyl-6-(3-phenylpropylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155524875
2-[4-[[2-Butyl-4-methyl-6-(3-phenylpropylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155525241
2-[4-[[2-Ethyl-4-methyl-6-(3-phenylpropylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155525343
2-[5-[[4-Methyl-6-(2-phenylethylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155530112
2-[5-[[2-Ethyl-4-methyl-6-(2-phenylethylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155530608
2-[4-[[4-Methyl-6-(3-phenylpropylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155531577

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine?
The IUPAC name of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine (CID 159696656) is 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine.
What is the SMILES notation for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine?
The canonical SMILES for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine is CN1CCNCC1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)O)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine?
The InChIKey is MXCCNIPDRXJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N9O2.C26H21N7O3.C5H12N2/c1-20-28(40-19-22(9-12-27(40)34-20)30(42)39-17-15-38(2)16-18-39)26-13-14-33-31(37-26)35-23-10-7-21(8-11-23)29(41)36-25-6-4-3-5-24(25)32;1-15-23(33-14-17(25(35)36)8-11-22(33)29-15)21-12-13-28-26(32-21)30-18-9-6-16(7-10-18)24(34)31-20-5-3-2-4-19(20)27;1-7-4-2-6-3-5-7/h3-14,19H,15-18,32H2,1-2H3,(H,36,41)(H,33,35,37);2-14H,27H2,1H3,(H,31,34)(H,35,36)(H,28,30,32);6H,2-5H2,1H3.
What are the key properties of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine?
3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine has a molecular weight of 1141.31 g/mol, XLogP of 7.96, 12 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxylic acid;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-methylpiperazine is sourced from PubChem (CID 159696656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).