N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C116H135ClN28O10 — CID 157487048

About N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 157487048) has the molecular formula C116H135ClN28O10 and a molecular weight of 2116.99 g/mol. Its IUPAC name is N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 157487048
• Molecular Formula: C116H135ClN28O10
• Molecular Weight: 2116.99 g/mol
• Exact Mass: 2115.06
• IUPAC Name: N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4c(C(=O)CC)cccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4c(C(C)=O)cccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4cccc(C)c34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4cccc(Cl)c34)n2)c(OC)cc1N(C)CCN(C)C
• InChI: InChI=1S/C30H35N7O3.C29H33N7O3.C29H35N7O2.C28H32ClN7O2/c1-7-26(38)20-11-9-10-19-21(18-32-29(19)20)22-12-13-31-30(34-22)35-24-16-23(33-28(39)8-2)25(17-27(24)40-6)37(5)15-14-36(3)4;1-7-27(38)32-23-15-24(26(39-6)16-25(23)36(5)14-13-35(3)4)34-29-30-12-11-22(33-29)21-17-31-28-19(18(2)37)9-8-10-20(21)28;1-8-27(37)31-22-16-23(26(38-7)17-25(22)35(5)15-14-34(3)4)33-29-30-13-12-21(32-29)20-18-36(6)24-11-9-10-19(2)28(20)24;1-7-26(37)31-21-15-22(25(38-6)16-24(21)35(4)14-13-34(2)3)33-28-30-12-11-20(32-28)18-17-36(5)23-10-8-9-19(29)27(18)23/h8-13,16-18,32H,2,7,14-15H2,1,3-6H3,(H,33,39)(H,31,34,35);7-12,15-17,31H,1,13-14H2,2-6H3,(H,32,38)(H,30,33,34);8-13,16-18H,1,14-15H2,2-7H3,(H,31,37)(H,30,32,33);7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
• InChIKey: BWVNKLAFUJYHIG-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 406.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2116.99
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 157487048) is N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4c(C(=O)CC)cccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4c(C(C)=O)cccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4cccc(C)c34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4cccc(Cl)c34)n2)c(OC)cc1N(C)CCN(C)C.

What is the InChIKey of N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

The InChIKey is BWVNKLAFUJYHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O3.C29H33N7O3.C29H35N7O2.C28H32ClN7O2/c1-7-26(38)20-11-9-10-19-21(18-32-29(19)20)22-12-13-31-30(34-22)35-24-16-23(33-28(39)8-2)25(17-27(24)40-6)37(5)15-14-36(3)4;1-7-27(38)32-23-15-24(26(39-6)16-25(23)36(5)14-13-35(3)4)34-29-30-12-11-22(33-29)21-17-31-28-19(18(2)37)9-8-10-20(21)28;1-8-27(37)31-22-16-23(26(38-7)17-25(22)35(5)15-14-34(3)4)33-29-30-13-12-21(32-29)20-18-36(6)24-11-9-10-19(2)28(20)24;1-7-26(37)31-21-15-22(25(38-6)16-24(21)35(4)14-13-34(2)3)33-28-30-12-11-20(32-28)18-17-36(5)23-10-8-9-19(29)27(18)23/h8-13,16-18,32H,2,7,14-15H2,1,3-6H3,(H,33,39)(H,31,34,35);7-12,15-17,31H,1,13-14H2,2-6H3,(H,32,38)(H,30,33,34);8-13,16-18H,1,14-15H2,2-7H3,(H,31,37)(H,30,32,33);7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33).

What are the key properties of N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2116.99 g/mol, XLogP of 19.78, 43 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-(7-acetyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(4-chloro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1,4-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(7-propanoyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157487048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).