ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide

C52H67N11O6 — CID 145419907

About ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide

ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 145419907) has the molecular formula C52H67N11O6 and a molecular weight of 942.18 g/mol. Its IUPAC name is ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

• Compound Name: ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
• PubChem CID: 145419907
• Molecular Formula: C52H67N11O6
• Molecular Weight: 942.18 g/mol
• Exact Mass: 941.53
• IUPAC Name: ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
• SMILES: CC.CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4)nc(N4CCC(C)CC4)nc3n2)c1.COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4C)nc3n2)cc1CO
• InChI: InChI=1S/C25H30N6O2.C25H31N5O4.C2H6/c1-17-8-10-31(11-9-17)25-28-22-20(23(29-25)30-12-14-33-15-13-30)6-7-21(27-22)18-4-3-5-19(16-18)24(32)26-2;1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2;1-2/h3-7,16-17H,8-15H2,1-2H3,(H,26,32);4-7,12,16-17,31H,8-11,13-15H2,1-3H3;1-2H3/t;16-,17?;/m.0./s1
• InChIKey: HUHUELHJZGCLMQ-VODRQJSRSA-N
• XLogP: 6.79
• TPSA: 176.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	942.18
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?

The IUPAC name of ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 145419907) is ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide.

What is the SMILES notation for ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?

The canonical SMILES for ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide is CC.CNC(=O)c1cccc(-c2ccc3c(N4CCOCC4)nc(N4CCC(C)CC4)nc3n2)c1.COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOCC4C)nc3n2)cc1CO.

What is the InChIKey of ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?

The InChIKey is HUHUELHJZGCLMQ-VODRQJSRSA-N. The full InChI is InChI=1S/C25H30N6O2.C25H31N5O4.C2H6/c1-17-8-10-31(11-9-17)25-28-22-20(23(29-25)30-12-14-33-15-13-30)6-7-21(27-22)18-4-3-5-19(16-18)24(32)26-2;1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2;1-2/h3-7,16-17H,8-15H2,1-2H3,(H,26,32);4-7,12,16-17,31H,8-11,13-15H2,1-3H3;1-2H3/t;16-,17?;/m.0./s1.

What are the key properties of ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?

ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 942.18 g/mol, XLogP of 6.79, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol;N-methyl-3-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 145419907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).