2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine

C97H104BrCl2F2N19O13 — CID 161197721

IUPAC2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cncnc3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.Nc1cncnc1
InChIInChI=1S/C28H28ClFN6O3.C20H22N4O3.C16H18BrNO3.C16H14N4O3.C13H17ClFNO.C4H5N3/c1-17(2)36(14-26(38)33-10-19-5-4-6-24(29)28(19)30)27(39)15-35-13-23(18(3)37)22-9-20(7-8-25(22)35)34-21-11-31-16-32-12-21;1-13(25)17-10-24(11-19(26)27-20(2,3)4)18-6-5-14(7-16(17)18)23-15-8-21-12-22-9-15;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(21)14-7-20(8-16(22)23)15-3-2-11(4-13(14)15)19-12-5-17-9-18-6-12;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;5-4-1-6-3-7-2-4/h4-9,11-13,16-17,34H,10,14-15H2,1-3H3,(H,33,38);5-10,12,23H,11H2,1-4H3;5-8H,9H2,1-4H3;2-7,9,19H,8H2,1H3,(H,22,23);3-5,9H,6-8H2,1-2H3,(H,16,17);1-3H,5H2
InChIKeyUUOKGDHXJVOOIU-UHFFFAOYSA-N
MW1932.82 g/mol
LogP18.44
Rot. Bonds28

About 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine

2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine (PubChem CID 161197721) has the molecular formula C97H104BrCl2F2N19O13 and a molecular weight of 1932.82 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine.

Molecular Properties

Compound Name2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine
PubChem CID161197721
Molecular FormulaC97H104BrCl2F2N19O13
Molecular Weight1932.82 g/mol
Exact Mass1929.66
IUPAC Name2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cncnc3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.Nc1cncnc1
InChIInChI=1S/C28H28ClFN6O3.C20H22N4O3.C16H18BrNO3.C16H14N4O3.C13H17ClFNO.C4H5N3/c1-17(2)36(14-26(38)33-10-19-5-4-6-24(29)28(19)30)27(39)15-35-13-23(18(3)37)22-9-20(7-8-25(22)35)34-21-11-31-16-32-12-21;1-13(25)17-10-24(11-19(26)27-20(2,3)4)18-6-5-14(7-16(17)18)23-15-8-21-12-22-9-15;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(21)14-7-20(8-16(22)23)15-3-2-11(4-13(14)15)19-12-5-17-9-18-6-12;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;5-4-1-6-3-7-2-4/h4-9,11-13,16-17,34H,10,14-15H2,1-3H3,(H,33,38);5-10,12,23H,11H2,1-4H3;5-8H,9H2,1-4H3;2-7,9,19H,8H2,1H3,(H,22,23);3-5,9H,6-8H2,1-2H3,(H,16,17);1-3H,5H2
InChIKeyUUOKGDHXJVOOIU-UHFFFAOYSA-N
XLogP18.44
TPSA421.64 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001932.82
LogP ≤ 518.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine with MolForge

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Related Compounds

2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 159603772
2-[3-acetyl-6-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-6-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-6-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyrimidin-5-amine
CID 161103053
2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide
CID 130300078
dipotassium;azane;5-bromo-1H-indole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;hydrate
CID 158275035
2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130300217
2-(5-bromo-3-formylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130324901
2-[3-acetyl-5-(2-fluoro-4-pyridinyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130299868
dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 158313578
5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300007
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-2-aminoacetamide
CID 130300138
2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide
CID 158833719
2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 166957650

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine?
The IUPAC name of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine (CID 161197721) is 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine.
What is the SMILES notation for 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine?
The canonical SMILES for 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cncnc3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.Nc1cncnc1.
What is the InChIKey of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine?
The InChIKey is UUOKGDHXJVOOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN6O3.C20H22N4O3.C16H18BrNO3.C16H14N4O3.C13H17ClFNO.C4H5N3/c1-17(2)36(14-26(38)33-10-19-5-4-6-24(29)28(19)30)27(39)15-35-13-23(18(3)37)22-9-20(7-8-25(22)35)34-21-11-31-16-32-12-21;1-13(25)17-10-24(11-19(26)27-20(2,3)4)18-6-5-14(7-16(17)18)23-15-8-21-12-22-9-15;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(21)14-7-20(8-16(22)23)15-3-2-11(4-13(14)15)19-12-5-17-9-18-6-12;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;5-4-1-6-3-7-2-4/h4-9,11-13,16-17,34H,10,14-15H2,1-3H3,(H,33,38);5-10,12,23H,11H2,1-4H3;5-8H,9H2,1-4H3;2-7,9,19H,8H2,1H3,(H,22,23);3-5,9H,6-8H2,1-2H3,(H,16,17);1-3H,5H2.
What are the key properties of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine?
2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine has a molecular weight of 1932.82 g/mol, XLogP of 18.44, 28 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyrimidin-5-amine is sourced from PubChem (CID 161197721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).