7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C27H32N4O6 — CID 67774731

About 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 67774731) has the molecular formula C27H32N4O6 and a molecular weight of 508.58 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
• PubChem CID: 67774731
• Molecular Formula: C27H32N4O6
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.23
• IUPAC Name: 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
• SMILES: COc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)N[C@@H]4CN(C(=O)[C@H](C)O)C[C@@H]4O)c(C)[nH]c23)c1
• InChI: InChI=1S/C27H32N4O6/c1-14-23(26(34)30-20-11-31(12-21(20)33)27(35)15(2)32)25-24(29-14)18(8-9-28-25)19-10-17(36-3)6-7-22(19)37-13-16-4-5-16/h6-10,15-16,20-21,29,32-33H,4-5,11-13H2,1-3H3,(H,30,34)/t15-,20+,21-/m0/s1
• InChIKey: VBKRQOBCKLVTHH-RVHYNSKXSA-N
• XLogP: 2.02
• TPSA: 137.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?

The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 67774731) is 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?

The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)N[C@@H]4CN(C(=O)[C@H](C)O)C[C@@H]4O)c(C)[nH]c23)c1.

What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?

The InChIKey is VBKRQOBCKLVTHH-RVHYNSKXSA-N. The full InChI is InChI=1S/C27H32N4O6/c1-14-23(26(34)30-20-11-31(12-21(20)33)27(35)15(2)32)25-24(29-14)18(8-9-28-25)19-10-17(36-3)6-7-22(19)37-13-16-4-5-16/h6-10,15-16,20-21,29,32-33H,4-5,11-13H2,1-3H3,(H,30,34)/t15-,20+,21-/m0/s1.

What are the key properties of 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?

7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 2.02, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-[(3R,4S)-4-hydroxy-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 67774731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).