1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane

C77H82ClN19O5S — CID 157129565

IUPAC1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane
SMILESC.C.CC[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.COc1cccc(CNC(=O)c2cccc3c2CCN3c2ccnc(N)n2)c1.COc1cccc(CNC(=O)c2cccc3c2ccn3-c2cc(N)nc(N)n2)c1.Nc1nccc(Cc2cccc(Cl)c2)n1.S
InChIInChI=1S/C22H21N5O.C21H20N6O2.C21H21N5O2.C11H10ClN3.2CH4.H2S/c1-2-18(15-7-4-3-5-8-15)25-21(28)17-9-6-10-19-16(17)12-14-27(19)20-11-13-24-22(23)26-20;1-29-14-5-2-4-13(10-14)12-24-20(28)16-6-3-7-17-15(16)8-9-27(17)19-11-18(22)25-21(23)26-19;1-28-15-5-2-4-14(12-15)13-24-20(27)17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;12-9-3-1-2-8(6-9)7-10-4-5-14-11(13)15-10;;;/h3-14,18H,2H2,1H3,(H,25,28)(H2,23,24,26);2-11H,12H2,1H3,(H,24,28)(H4,22,23,25,26);2-8,10,12H,9,11,13H2,1H3,(H,24,27)(H2,22,23,25);1-6H,7H2,(H2,13,14,15);2*1H4;1H2/t18-;;;;;;/m0....../s1
InChIKeyAIXDAHVWYVFWNZ-PSLBHIAQSA-N
MW1421.15 g/mol
LogP12.79
Rot. Bonds17

About 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane

1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane (PubChem CID 157129565) has the molecular formula C77H82ClN19O5S and a molecular weight of 1421.15 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane
PubChem CID157129565
Molecular FormulaC77H82ClN19O5S
Molecular Weight1421.15 g/mol
Exact Mass1419.62
IUPAC Name1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane
SMILESC.C.CC[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.COc1cccc(CNC(=O)c2cccc3c2CCN3c2ccnc(N)n2)c1.COc1cccc(CNC(=O)c2cccc3c2ccn3-c2cc(N)nc(N)n2)c1.Nc1nccc(Cc2cccc(Cl)c2)n1.S
InChIInChI=1S/C22H21N5O.C21H20N6O2.C21H21N5O2.C11H10ClN3.2CH4.H2S/c1-2-18(15-7-4-3-5-8-15)25-21(28)17-9-6-10-19-16(17)12-14-27(19)20-11-13-24-22(23)26-20;1-29-14-5-2-4-13(10-14)12-24-20(28)16-6-3-7-17-15(16)8-9-27(17)19-11-18(22)25-21(23)26-19;1-28-15-5-2-4-14(12-15)13-24-20(27)17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;12-9-3-1-2-8(6-9)7-10-4-5-14-11(13)15-10;;;/h3-14,18H,2H2,1H3,(H,25,28)(H2,23,24,26);2-11H,12H2,1H3,(H,24,28)(H4,22,23,25,26);2-8,10,12H,9,11,13H2,1H3,(H,24,27)(H2,22,23,25);1-6H,7H2,(H2,13,14,15);2*1H4;1H2/t18-;;;;;;/m0....../s1
InChIKeyAIXDAHVWYVFWNZ-PSLBHIAQSA-N
XLogP12.79
TPSA352.08 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001421.15
LogP ≤ 512.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane with MolForge

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Related Compounds

(R)-1-(2-aminopyrimidin-4-yl)-N-(1-(3-methoxyphenyl)ethyl)-1H-indole-4-carboxamide
CID 68388331
1-(2-aminopyrimidin-4-yl)-N-(3-methoxybenzyl)-1H-indole-4-carboxamide
CID 68388422
(S)-1-(2-aminopyrimidin-4-yl)-N-(1-(3-methoxyphenyl)ethyl)-1H-indole-4-carboxamide
CID 68388402
2-[[2-[5-[3-Chloro-2-fluoro-5-[[6-methoxy-2-(2-methyl-3-pyridinyl)quinazolin-4-yl]amino]phenyl]-2-methyl-3-pyridinyl]-6-methoxyquinazolin-4-yl]amino]benzamide
CID 144500683
1-[4-[8-(5-chloro-6-fluoro-1H-indole-4-carbonyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157023370
1H-indol-4-yl-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone;[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 161385378
(2'R,3S,3'S,5'S)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carbonyl]-2-methoxyphenyl]-1'-pyridin-2-yl-6-(trifluoromethyl)spiro[1,2-dihydropyrrolo[3,2-c]pyridine-3,4'-pyrrolidine]-2'-carboxamide
CID 170601283
(5-chloro-6-fluoro-1H-indol-4-yl)-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-4-piperazin-1-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl]methanone
CID 175897071
1-(2-acetamidopyrimidin-4-yl)-N-(3-methoxybenzyl)-1H-indole-4-carboxamide
CID 68388325
1-(2-aminopyrimidin-4-yl)-N-[1-(3-methoxyphenyl)ethyl]indole-4-carboxamide
CID 68388333
1-(2,6-diaminopyrimidin-4-yl)-N-(3-methoxybenzyl)-1H-indole-4-carboxamide
CID 68388414
N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine
CID 157163074

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane (CID 157129565) is 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane is C.C.CC[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.COc1cccc(CNC(=O)c2cccc3c2CCN3c2ccnc(N)n2)c1.COc1cccc(CNC(=O)c2cccc3c2ccn3-c2cc(N)nc(N)n2)c1.Nc1nccc(Cc2cccc(Cl)c2)n1.S.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane?
The InChIKey is AIXDAHVWYVFWNZ-PSLBHIAQSA-N. The full InChI is InChI=1S/C22H21N5O.C21H20N6O2.C21H21N5O2.C11H10ClN3.2CH4.H2S/c1-2-18(15-7-4-3-5-8-15)25-21(28)17-9-6-10-19-16(17)12-14-27(19)20-11-13-24-22(23)26-20;1-29-14-5-2-4-13(10-14)12-24-20(28)16-6-3-7-17-15(16)8-9-27(17)19-11-18(22)25-21(23)26-19;1-28-15-5-2-4-14(12-15)13-24-20(27)17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;12-9-3-1-2-8(6-9)7-10-4-5-14-11(13)15-10;;;/h3-14,18H,2H2,1H3,(H,25,28)(H2,23,24,26);2-11H,12H2,1H3,(H,24,28)(H4,22,23,25,26);2-8,10,12H,9,11,13H2,1H3,(H,24,27)(H2,22,23,25);1-6H,7H2,(H2,13,14,15);2*1H4;1H2/t18-;;;;;;/m0....../s1.
What are the key properties of 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane?
1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane has a molecular weight of 1421.15 g/mol, XLogP of 12.79, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane is sourced from PubChem (CID 157129565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).