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

C83H74F6N18O7 — CID 158029926

IUPAC6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide
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.NC(=O)c1cc(N[C@H]2CCNC2=O)nc(-c2ccc3c(c2)ncn3-c2ccc(C(F)(F)F)cc2)n1.O=Cc1c[nH]c2ccc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)n3)cc12
InChIInChI=1S/C23H18F3N7O2.C22H14F3N3O2.C20H24N6O2.C18H18N2O/c24-23(25,26)13-2-4-14(5-3-13)33-11-29-16-9-12(1-6-18(16)33)21-31-17(20(27)34)10-19(32-21)30-15-7-8-28-22(15)35;23-22(24,25)15-5-7-16(8-6-15)27-21(30)20-3-1-2-18(28-20)13-4-9-19-17(10-13)14(12-29)11-26-19;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/h1-6,9-11,15H,7-8H2,(H2,27,34)(H,28,35)(H,30,31,32);1-12,26H,(H,27,30);4-9,11-12H,10H2,1-3H3,(H2,21,27)(H2,22,28)(H,23,24,25);3-10,12-13H,11H2,1-2H3/t15-;;12-;/m0.0./s1
InChIKeyFHBDDMQCDRMQOW-XVUAEVNCSA-N
MW1549.61 g/mol
LogP14.52
Rot. Bonds20

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

6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide (PubChem CID 158029926) has the molecular formula C83H74F6N18O7 and a molecular weight of 1549.61 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;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide
PubChem CID158029926
Molecular FormulaC83H74F6N18O7
Molecular Weight1549.61 g/mol
Exact Mass1548.59
IUPAC Name6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide
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.NC(=O)c1cc(N[C@H]2CCNC2=O)nc(-c2ccc3c(c2)ncn3-c2ccc(C(F)(F)F)cc2)n1.O=Cc1c[nH]c2ccc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)n3)cc12
InChIInChI=1S/C23H18F3N7O2.C22H14F3N3O2.C20H24N6O2.C18H18N2O/c24-23(25,26)13-2-4-14(5-3-13)33-11-29-16-9-12(1-6-18(16)33)21-31-17(20(27)34)10-19(32-21)30-15-7-8-28-22(15)35;23-22(24,25)15-5-7-16(8-6-15)27-21(30)20-3-1-2-18(28-20)13-4-9-19-17(10-13)14(12-29)11-26-19;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/h1-6,9-11,15H,7-8H2,(H2,27,34)(H,28,35)(H,30,31,32);1-12,26H,(H,27,30);4-9,11-12H,10H2,1-3H3,(H2,21,27)(H2,22,28)(H,23,24,25);3-10,12-13H,11H2,1-2H3/t15-;;12-;/m0.0./s1
InChIKeyFHBDDMQCDRMQOW-XVUAEVNCSA-N
XLogP14.52
TPSA366.48 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001549.61
LogP ≤ 514.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

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;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-(2,6-Dioxopiperidin-3-yl)-4-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethylamino]isoindole-1,3-dione
CID 155567647
4-(3-formyl-1H-pyrrolo[2,3-a]carbazol-10-yl)-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]indol-3-yl]ethyl]butanamide
CID 168293482
3-(4-formylimidazol-1-yl)-N-[6-methyl-5-(9H-pyrimido[4,5-b]indol-7-yl)pyridin-3-yl]-5-(trifluoromethyl)benzamide
CID 25151484
3-(4-formylimidazol-1-yl)-N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 25152251
3-(4-Formyl-1H-imidazol-1-yl)-N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)-phenyl]-5-(trifluoromethyl)benzamide trifluoroacetate
CID 86621959
N-[4-methyl-3-[[1-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87392851
CID 87761878
CID 87761878
3-(4-formylimidazol-1-yl)-N-[6-methyl-5-(9H-pyrimido[4,5-b]indol-7-yl)pyridin-3-yl]-5-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 87762124
[4-[[2,6-Difluoro-3-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 123381278
[(3R,4R)-4-[[2,6-difluoro-3-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 129131028
[(1R,4R,7R)-7-[[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-ethyl-7-fluorobenzimidazol-2-yl]-1-ethylpyrrolo[2,3-b]pyridin-6-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 129230112
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992

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;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide (CID 158029926) is 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide.
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;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide 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.NC(=O)c1cc(N[C@H]2CCNC2=O)nc(-c2ccc3c(c2)ncn3-c2ccc(C(F)(F)F)cc2)n1.O=Cc1c[nH]c2ccc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)n3)cc12.
What is the InChIKey of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide?
The InChIKey is FHBDDMQCDRMQOW-XVUAEVNCSA-N. The full InChI is InChI=1S/C23H18F3N7O2.C22H14F3N3O2.C20H24N6O2.C18H18N2O/c24-23(25,26)13-2-4-14(5-3-13)33-11-29-16-9-12(1-6-18(16)33)21-31-17(20(27)34)10-19(32-21)30-15-7-8-28-22(15)35;23-22(24,25)15-5-7-16(8-6-15)27-21(30)20-3-1-2-18(28-20)13-4-9-19-17(10-13)14(12-29)11-26-19;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/h1-6,9-11,15H,7-8H2,(H2,27,34)(H,28,35)(H,30,31,32);1-12,26H,(H,27,30);4-9,11-12H,10H2,1-3H3,(H2,21,27)(H2,22,28)(H,23,24,25);3-10,12-13H,11H2,1-2H3/t15-;;12-;/m0.0./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;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide?
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide has a molecular weight of 1549.61 g/mol, XLogP of 14.52, 20 rotatable bonds, 8 hydrogen bond donors, and 19 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;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 158029926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).