(6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C31H41N5O6 — CID 156870044

About (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

(6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 156870044) has the molecular formula C31H41N5O6 and a molecular weight of 579.70 g/mol. Its IUPAC name is (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 156870044
• Molecular Formula: C31H41N5O6
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.31
• IUPAC Name: (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: COc1c(C)cccc1Nc1c(-c2ccncc2OC[C@@H]2CN(C(O)OC(C)(C)C)CCO2)[nH]c2c1C(=O)N[C@H](C)C2
• InChI: InChI=1S/C31H41N5O6/c1-18-8-7-9-22(28(18)39-6)34-27-25-23(14-19(2)33-29(25)37)35-26(27)21-10-11-32-15-24(21)41-17-20-16-36(12-13-40-20)30(38)42-31(3,4)5/h7-11,15,19-20,30,34-35,38H,12-14,16-17H2,1-6H3,(H,33,37)/t19-,20+,30?/m1/s1
• InChIKey: UTEALPHOOOMIPP-PGJZWCTDSA-N
• XLogP: 3.98
• TPSA: 130.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 156870044) is (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1c(C)cccc1Nc1c(-c2ccncc2OC[C@@H]2CN(C(O)OC(C)(C)C)CCO2)[nH]c2c1C(=O)N[C@H](C)C2.

What is the InChIKey of (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is UTEALPHOOOMIPP-PGJZWCTDSA-N. The full InChI is InChI=1S/C31H41N5O6/c1-18-8-7-9-22(28(18)39-6)34-27-25-23(14-19(2)33-29(25)37)35-26(27)21-10-11-32-15-24(21)41-17-20-16-36(12-13-40-20)30(38)42-31(3,4)5/h7-11,15,19-20,30,34-35,38H,12-14,16-17H2,1-6H3,(H,33,37)/t19-,20+,30?/m1/s1.

What are the key properties of (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

(6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 579.70 g/mol, XLogP of 3.98, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-[3-[[(2S)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]-4-pyridinyl]-3-(2-methoxy-3-methylanilino)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 156870044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).