(3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C26H33N5O3 — CID 59703460

About (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 59703460) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
• PubChem CID: 59703460
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
• SMILES: CCOCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
• InChI: InChI=1S/C26H33N5O3/c1-4-32-17-20-6-5-7-21(14-20)23-9-8-22-24(27-23)28-26(31-11-13-34-16-19(31)3)29-25(22)30-10-12-33-15-18(30)2/h5-9,14,18-19H,4,10-13,15-17H2,1-3H3/t18-,19-/m0/s1
• InChIKey: DJOGTGJATDNVHT-OALUTQOASA-N
• XLogP: 3.68
• TPSA: 72.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?

The IUPAC name of (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 59703460) is (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

What is the SMILES notation for (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?

The canonical SMILES for (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is CCOCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.

What is the InChIKey of (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?

The InChIKey is DJOGTGJATDNVHT-OALUTQOASA-N. The full InChI is InChI=1S/C26H33N5O3/c1-4-32-17-20-6-5-7-21(14-20)23-9-8-22-24(27-23)28-26(31-11-13-34-16-19(31)3)29-25(22)30-10-12-33-15-18(30)2/h5-9,14,18-19H,4,10-13,15-17H2,1-3H3/t18-,19-/m0/s1.

What are the key properties of (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?

(3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 463.58 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[7-[3-(ethoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 59703460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).