2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C30H38N2O6 — CID 71535973

About 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 71535973) has the molecular formula C30H38N2O6 and a molecular weight of 522.64 g/mol. Its IUPAC name is 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 71535973
• Molecular Formula: C30H38N2O6
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.27
• IUPAC Name: 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1c(-c2c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c3c2ccn3CC2CCOCC2)ccc2c1CCCO2
• InChI: InChI=1S/C30H38N2O6/c1-18-20-7-6-14-37-23(20)9-8-21(18)24-22-10-13-32(17-19-11-15-36-16-12-19)25(22)28(33)31(5)26(24)27(29(34)35)38-30(2,3)4/h8-10,13,19,27H,6-7,11-12,14-17H2,1-5H3,(H,34,35)
• InChIKey: CGBYFRCBCBBKQE-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 91.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 71535973) is 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1c(-c2c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c3c2ccn3CC2CCOCC2)ccc2c1CCCO2.

What is the InChIKey of 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is CGBYFRCBCBBKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O6/c1-18-20-7-6-14-37-23(20)9-8-21(18)24-22-10-13-32(17-19-11-15-36-16-12-19)25(22)28(33)31(5)26(24)27(29(34)35)38-30(2,3)4/h8-10,13,19,27H,6-7,11-12,14-17H2,1-5H3,(H,34,35).

What are the key properties of 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 522.64 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(oxan-4-ylmethyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 71535973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).