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

C27H31FN4O5 — CID 67775320

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

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 67775320) has the molecular formula C27H31FN4O5 and a molecular weight of 510.57 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
• PubChem CID: 67775320
• Molecular Formula: C27H31FN4O5
• Molecular Weight: 510.57 g/mol
• Exact Mass: 510.23
• IUPAC Name: 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
• SMILES: Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ccnc2c1C(=O)N[C@H]1CCN(C(=O)[C@H](C)O)C[C@H]1O
• InChI: InChI=1S/C27H31FN4O5/c1-14-23(26(35)31-20-8-10-32(12-21(20)34)27(36)15(2)33)25-24(30-14)18(7-9-29-25)19-11-17(28)5-6-22(19)37-13-16-3-4-16/h5-7,9,11,15-16,20-21,30,33-34H,3-4,8,10,12-13H2,1-2H3,(H,31,35)/t15-,20-,21+/m0/s1
• InChIKey: GMVZHZFILVVPFK-ONGXBYRLSA-N
• XLogP: 2.54
• TPSA: 127.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.57
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 67775320) is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

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

The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ccnc2c1C(=O)N[C@H]1CCN(C(=O)[C@H](C)O)C[C@H]1O.

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

The InChIKey is GMVZHZFILVVPFK-ONGXBYRLSA-N. The full InChI is InChI=1S/C27H31FN4O5/c1-14-23(26(35)31-20-8-10-32(12-21(20)34)27(36)15(2)33)25-24(30-14)18(7-9-29-25)19-11-17(28)5-6-22(19)37-13-16-3-4-16/h5-7,9,11,15-16,20-21,30,33-34H,3-4,8,10,12-13H2,1-2H3,(H,31,35)/t15-,20-,21+/m0/s1.

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

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 510.57 g/mol, XLogP of 2.54, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3R,4S)-3-hydroxy-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 67775320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).