6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one

C26H32N6O3 — CID 67177758

About 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one

6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one (PubChem CID 67177758) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one
• PubChem CID: 67177758
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one
• SMILES: COCCN1CCc2c(nc(-c3ccc(Nc4cccc(=O)[nH]4)cc3)nc2N2CCOC[C@@H]2C)C1
• InChI: InChI=1S/C26H32N6O3/c1-18-17-35-15-13-32(18)26-21-10-11-31(12-14-34-2)16-22(21)28-25(30-26)19-6-8-20(9-7-19)27-23-4-3-5-24(33)29-23/h3-9,18H,10-17H2,1-2H3,(H2,27,29,33)/t18-/m0/s1
• InChIKey: HLAISOZRCHKVSU-SFHVURJKSA-N
• XLogP: 2.81
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one?

The IUPAC name of 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one (CID 67177758) is 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one.

What is the SMILES notation for 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one?

The canonical SMILES for 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one is COCCN1CCc2c(nc(-c3ccc(Nc4cccc(=O)[nH]4)cc3)nc2N2CCOC[C@@H]2C)C1.

What is the InChIKey of 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one?

The InChIKey is HLAISOZRCHKVSU-SFHVURJKSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-18-17-35-15-13-32(18)26-21-10-11-31(12-14-34-2)16-22(21)28-25(30-26)19-6-8-20(9-7-19)27-23-4-3-5-24(33)29-23/h3-9,18H,10-17H2,1-2H3,(H2,27,29,33)/t18-/m0/s1.

What are the key properties of 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one?

6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one has a molecular weight of 476.58 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one is sourced from PubChem (CID 67177758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).