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

C27H31FN4O4 — CID 67802104

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

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 67802104) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 67802104
• Molecular Formula: C27H31FN4O4
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.23
• IUPAC Name: 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
• SMILES: Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)nccc2c1C(=O)NC1CCN(C(=O)[C@H](C)O)CC1
• InChI: InChI=1S/C27H31FN4O4/c1-15-23(26(34)31-19-8-11-32(12-9-19)27(35)16(2)33)20-7-10-29-24(25(20)30-15)21-13-18(28)5-6-22(21)36-14-17-3-4-17/h5-7,10,13,16-17,19,30,33H,3-4,8-9,11-12,14H2,1-2H3,(H,31,34)/t16-/m0/s1
• InChIKey: KBIZNNUKTVEITD-INIZCTEOSA-N
• XLogP: 3.57
• TPSA: 107.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide (CID 67802104) is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide is Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)nccc2c1C(=O)NC1CCN(C(=O)[C@H](C)O)CC1.

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

The InChIKey is KBIZNNUKTVEITD-INIZCTEOSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-15-23(26(34)31-19-8-11-32(12-9-19)27(35)16(2)33)20-7-10-29-24(25(20)30-15)21-13-18(28)5-6-22(21)36-14-17-3-4-17/h5-7,10,13,16-17,19,30,33H,3-4,8-9,11-12,14H2,1-2H3,(H,31,34)/t16-/m0/s1.

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

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 67802104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).