N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide

C126H147N29O8 — CID 157165117

About N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide

N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide (PubChem CID 157165117) has the molecular formula C126H147N29O8 and a molecular weight of 2195.76 g/mol. Its IUPAC name is N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide
• PubChem CID: 157165117
• Molecular Formula: C126H147N29O8
• Molecular Weight: 2195.76 g/mol
• Exact Mass: 2194.20
• IUPAC Name: N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCC2)CC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCCC2)CC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1
• InChI: InChI=1S/C33H40N8O2.C32H37N7O2.C31H35N7O2.C30H35N7O2/c1-5-32(42)35-27-20-28(37-33-34-13-10-26(36-33)25-22-39(3)29-9-7-6-8-24(25)29)31(43-4)21-30(27)41-14-11-23(12-15-41)40-18-16-38(2)17-19-40;1-4-31(40)34-26-19-27(30(41-3)20-29(26)39-17-12-22(13-18-39)38-15-7-8-16-38)36-32-33-14-11-25(35-32)24-21-37(2)28-10-6-5-9-23(24)28;1-4-30(39)33-25-18-26(29(40-3)19-28(25)38-16-11-21(12-17-38)37-14-7-15-37)35-31-32-13-10-24(34-31)23-20-36(2)27-9-6-5-8-22(23)27;1-6-29(38)32-24-17-25(28(39-5)18-27(24)37-15-12-20(13-16-37)35(2)3)34-30-31-14-11-23(33-30)22-19-36(4)26-10-8-7-9-21(22)26/h5-10,13,20-23H,1,11-12,14-19H2,2-4H3,(H,35,42)(H,34,36,37);4-6,9-11,14,19-22H,1,7-8,12-13,15-18H2,2-3H3,(H,34,40)(H,33,35,36);4-6,8-10,13,18-21H,1,7,11-12,14-17H2,2-3H3,(H,33,39)(H,32,34,35);6-11,14,17-20H,1,12-13,15-16H2,2-5H3,(H,32,38)(H,31,33,34)
• InChIKey: AMUXQAPZHKZODP-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 353.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.76
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide?

The IUPAC name of N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide (CID 157165117) is N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide?

The canonical SMILES for N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCC2)CC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCCC2)CC1.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1.

What is the InChIKey of N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide?

The InChIKey is AMUXQAPZHKZODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N8O2.C32H37N7O2.C31H35N7O2.C30H35N7O2/c1-5-32(42)35-27-20-28(37-33-34-13-10-26(36-33)25-22-39(3)29-9-7-6-8-24(25)29)31(43-4)21-30(27)41-14-11-23(12-15-41)40-18-16-38(2)17-19-40;1-4-31(40)34-26-19-27(30(41-3)20-29(26)39-17-12-22(13-18-39)38-15-7-8-16-38)36-32-33-14-11-25(35-32)24-21-37(2)28-10-6-5-9-23(24)28;1-4-30(39)33-25-18-26(29(40-3)19-28(25)38-16-11-21(12-17-38)37-14-7-15-37)35-31-32-13-10-24(34-31)23-20-36(2)27-9-6-5-8-22(23)27;1-6-29(38)32-24-17-25(28(39-5)18-27(24)37-15-12-20(13-16-37)35(2)3)34-30-31-14-11-23(33-30)22-19-36(4)26-10-8-7-9-21(22)26/h5-10,13,20-23H,1,11-12,14-19H2,2-4H3,(H,35,42)(H,34,36,37);4-6,9-11,14,19-22H,1,7-8,12-13,15-18H2,2-3H3,(H,34,40)(H,33,35,36);4-6,8-10,13,18-21H,1,7,11-12,14-17H2,2-3H3,(H,33,39)(H,32,34,35);6-11,14,17-20H,1,12-13,15-16H2,2-5H3,(H,32,38)(H,31,33,34).

What are the key properties of N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide?

N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 2195.76 g/mol, XLogP of 20.53, 32 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(azetidin-1-yl)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 157165117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).