3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine

C48H54Br2N14O4 — CID 158279045

About 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine

3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine (PubChem CID 158279045) has the molecular formula C48H54Br2N14O4 and a molecular weight of 1050.86 g/mol. Its IUPAC name is 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine.

Molecular Properties

• Compound Name: 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine
• PubChem CID: 158279045
• Molecular Formula: C48H54Br2N14O4
• Molecular Weight: 1050.86 g/mol
• Exact Mass: 1048.28
• IUPAC Name: 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine
• SMILES: CCc1c(-c2cc(Nc3ccn[nH]3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.Cc1cc(Nc2ccn[nH]2)c(=O)n(C)c1.Cn1cc(Br)cc(Br)c1=O.NC1=NCC=C1
• InChI: InChI=1S/C28H31N7O2.C10H12N4O.C6H5Br2NO.C4H6N2/c1-5-19-20(18-12-21(26(36)33(4)16-18)31-24-7-9-30-32-24)6-8-29-25(19)35-11-10-34-22(27(35)37)13-17-14-28(2,3)15-23(17)34;1-7-5-8(10(15)14(2)6-7)12-9-3-4-11-13-9;1-9-3-4(7)2-5(8)6(9)10;5-4-2-1-3-6-4/h6-9,12-13,16H,5,10-11,14-15H2,1-4H3,(H2,30,31,32);3-6H,1-2H3,(H2,11,12,13);2-3H,1H3;1-2H,3H2,(H2,5,6)
• InChIKey: GJZCHVNMWXNLOH-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 223.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1050.86
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine?

The IUPAC name of 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine (CID 158279045) is 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine.

What is the SMILES notation for 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine?

The canonical SMILES for 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine is CCc1c(-c2cc(Nc3ccn[nH]3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.Cc1cc(Nc2ccn[nH]2)c(=O)n(C)c1.Cn1cc(Br)cc(Br)c1=O.NC1=NCC=C1.

What is the InChIKey of 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine?

The InChIKey is GJZCHVNMWXNLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2.C10H12N4O.C6H5Br2NO.C4H6N2/c1-5-19-20(18-12-21(26(36)33(4)16-18)31-24-7-9-30-32-24)6-8-29-25(19)35-11-10-34-22(27(35)37)13-17-14-28(2,3)15-23(17)34;1-7-5-8(10(15)14(2)6-7)12-9-3-4-11-13-9;1-9-3-4(7)2-5(8)6(9)10;5-4-2-1-3-6-4/h6-9,12-13,16H,5,10-11,14-15H2,1-4H3,(H2,30,31,32);3-6H,1-2H3,(H2,11,12,13);2-3H,1H3;1-2H,3H2,(H2,5,6).

What are the key properties of 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine?

3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine has a molecular weight of 1050.86 g/mol, XLogP of 7.05, 7 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dibromo-1-methylpyridin-2-one;1,5-dimethyl-3-(1H-pyrazol-5-ylamino)pyridin-2-one;10-[3-ethyl-4-[1-methyl-6-oxo-5-(1H-pyrazol-5-ylamino)-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;2H-pyrrol-5-amine is sourced from PubChem (CID 158279045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).