6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde

C107H101F3N24O9 — CID 160728328

IUPAC6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
SMILESCC(C)Cn1ccc2cc(-c3cccc(C=O)n3)ccc21.CC(C)Cn1ccc2cc(-c3nc(N[C@@H](C)C(N)=O)cc(C(N)=O)n3)ccc21.COc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.Cc1ccc(-n2cnc3cc(-c4nc(NC5CCNC5=O)cc(C(N)=O)n4)ccc32)cc1.Cc1ccc(-n2cnc3ccc(-c4nc(NC5CCNC5=O)cc(C(N)=O)n4)cc32)cc1
InChIInChI=1S/C23H17F3N2O2.2C23H21N7O2.C20H24N6O2.C18H18N2O/c1-30-22-13-27-19-10-7-15(12-17(19)22)18-3-2-4-20(28-18)21(29)11-14-5-8-16(9-6-14)23(24,25)26;1-13-2-5-15(6-3-13)30-12-26-17-10-14(4-7-19(17)30)22-28-18(21(24)31)11-20(29-22)27-16-8-9-25-23(16)32;1-13-2-5-15(6-3-13)30-12-26-16-7-4-14(10-19(16)30)22-28-18(21(24)31)11-20(29-22)27-17-8-9-25-23(17)32;1-11(2)10-26-7-6-13-8-14(4-5-16(13)26)20-24-15(19(22)28)9-17(25-20)23-12(3)18(21)27;1-13(2)11-20-9-8-15-10-14(6-7-18(15)20)17-5-3-4-16(12-21)19-17/h2-10,12-13,27H,11H2,1H3;2-7,10-12,16H,8-9H2,1H3,(H2,24,31)(H,25,32)(H,27,28,29);2-7,10-12,17H,8-9H2,1H3,(H2,24,31)(H,25,32)(H,27,28,29);4-9,11-12H,10H2,1-3H3,(H2,21,27)(H2,22,28)(H,23,24,25);3-10,12-13H,11H2,1-2H3/t;;;12-;/m...0./s1
InChIKeyRTZQKTBDGVDVDJ-QINXOZADSA-N
MW1924.14 g/mol
LogP16.37
Rot. Bonds26

About 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde

6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde (PubChem CID 160728328) has the molecular formula C107H101F3N24O9 and a molecular weight of 1924.14 g/mol. Its IUPAC name is 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
PubChem CID160728328
Molecular FormulaC107H101F3N24O9
Molecular Weight1924.14 g/mol
Exact Mass1922.81
IUPAC Name6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
SMILESCC(C)Cn1ccc2cc(-c3cccc(C=O)n3)ccc21.CC(C)Cn1ccc2cc(-c3nc(N[C@@H](C)C(N)=O)cc(C(N)=O)n3)ccc21.COc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.Cc1ccc(-n2cnc3cc(-c4nc(NC5CCNC5=O)cc(C(N)=O)n4)ccc32)cc1.Cc1ccc(-n2cnc3ccc(-c4nc(NC5CCNC5=O)cc(C(N)=O)n4)cc32)cc1
InChIInChI=1S/C23H17F3N2O2.2C23H21N7O2.C20H24N6O2.C18H18N2O/c1-30-22-13-27-19-10-7-15(12-17(19)22)18-3-2-4-20(28-18)21(29)11-14-5-8-16(9-6-14)23(24,25)26;1-13-2-5-15(6-3-13)30-12-26-17-10-14(4-7-19(17)30)22-28-18(21(24)31)11-20(29-22)27-16-8-9-25-23(16)32;1-13-2-5-15(6-3-13)30-12-26-16-7-4-14(10-19(16)30)22-28-18(21(24)31)11-20(29-22)27-17-8-9-25-23(17)32;1-11(2)10-26-7-6-13-8-14(4-5-16(13)26)20-24-15(19(22)28)9-17(25-20)23-12(3)18(21)27;1-13(2)11-20-9-8-15-10-14(6-7-18(15)20)17-5-3-4-16(12-21)19-17/h2-10,12-13,27H,11H2,1H3;2-7,10-12,16H,8-9H2,1H3,(H2,24,31)(H,25,32)(H,27,28,29);2-7,10-12,17H,8-9H2,1H3,(H2,24,31)(H,25,32)(H,27,28,29);4-9,11-12H,10H2,1-3H3,(H2,21,27)(H2,22,28)(H,23,24,25);3-10,12-13H,11H2,1-2H3/t;;;12-;/m...0./s1
InChIKeyRTZQKTBDGVDVDJ-QINXOZADSA-N
XLogP16.37
TPSA474.43 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001924.14
LogP ≤ 516.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde (CID 160728328) is 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde is CC(C)Cn1ccc2cc(-c3cccc(C=O)n3)ccc21.CC(C)Cn1ccc2cc(-c3nc(N[C@@H](C)C(N)=O)cc(C(N)=O)n3)ccc21.COc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.Cc1ccc(-n2cnc3cc(-c4nc(NC5CCNC5=O)cc(C(N)=O)n4)ccc32)cc1.Cc1ccc(-n2cnc3ccc(-c4nc(NC5CCNC5=O)cc(C(N)=O)n4)cc32)cc1.
What is the InChIKey of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
The InChIKey is RTZQKTBDGVDVDJ-QINXOZADSA-N. The full InChI is InChI=1S/C23H17F3N2O2.2C23H21N7O2.C20H24N6O2.C18H18N2O/c1-30-22-13-27-19-10-7-15(12-17(19)22)18-3-2-4-20(28-18)21(29)11-14-5-8-16(9-6-14)23(24,25)26;1-13-2-5-15(6-3-13)30-12-26-17-10-14(4-7-19(17)30)22-28-18(21(24)31)11-20(29-22)27-16-8-9-25-23(16)32;1-13-2-5-15(6-3-13)30-12-26-16-7-4-14(10-19(16)30)22-28-18(21(24)31)11-20(29-22)27-17-8-9-25-23(17)32;1-11(2)10-26-7-6-13-8-14(4-5-16(13)26)20-24-15(19(22)28)9-17(25-20)23-12(3)18(21)27;1-13(2)11-20-9-8-15-10-14(6-7-18(15)20)17-5-3-4-16(12-21)19-17/h2-10,12-13,27H,11H2,1H3;2-7,10-12,16H,8-9H2,1H3,(H2,24,31)(H,25,32)(H,27,28,29);2-7,10-12,17H,8-9H2,1H3,(H2,24,31)(H,25,32)(H,27,28,29);4-9,11-12H,10H2,1-3H3,(H2,21,27)(H2,22,28)(H,23,24,25);3-10,12-13H,11H2,1-2H3/t;;;12-;/m...0./s1.
What are the key properties of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde has a molecular weight of 1924.14 g/mol, XLogP of 16.37, 26 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 160728328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).