N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide

C51H56N14O6 — CID 157469060

About N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide

N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide (PubChem CID 157469060) has the molecular formula C51H56N14O6 and a molecular weight of 961.10 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide
• PubChem CID: 157469060
• Molecular Formula: C51H56N14O6
• Molecular Weight: 961.10 g/mol
• Exact Mass: 960.45
• IUPAC Name: N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3cnn4ccccc34)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nn(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C
• InChI: InChI=1S/C26H29N7O3.C25H27N7O3/c1-6-24(34)28-20-15-19(22(35-5)16-23(20)36-14-13-32(2)3)30-26-27-12-11-18(29-26)25-17-9-7-8-10-21(17)33(4)31-25;1-5-24(33)28-20-14-19(22(34-4)15-23(20)35-13-12-31(2)3)30-25-26-10-9-18(29-25)17-16-27-32-11-7-6-8-21(17)32/h6-12,15-16H,1,13-14H2,2-5H3,(H,28,34)(H,27,29,30);5-11,14-16H,1,12-13H2,2-4H3,(H,28,33)(H,26,29,30)
• InChIKey: BUUTVDMJVAPFOY-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 212.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	961.10
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide?

The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide (CID 157469060) is N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3cnn4ccccc34)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nn(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.

What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide?

The InChIKey is BUUTVDMJVAPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3.C25H27N7O3/c1-6-24(34)28-20-15-19(22(35-5)16-23(20)36-14-13-32(2)3)30-26-27-12-11-18(29-26)25-17-9-7-8-10-21(17)33(4)31-25;1-5-24(33)28-20-14-19(22(34-4)15-23(20)35-13-12-31(2)3)30-25-26-10-9-18(29-25)17-16-27-32-11-7-6-8-21(17)32/h6-12,15-16H,1,13-14H2,2-5H3,(H,28,34)(H,27,29,30);5-11,14-16H,1,12-13H2,2-4H3,(H,28,33)(H,26,29,30).

What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide?

N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide has a molecular weight of 961.10 g/mol, XLogP of 7.46, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157469060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).