[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone

C24H25FN4O3 — CID 118897436

About [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone

[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone (PubChem CID 118897436) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
• PubChem CID: 118897436
• Molecular Formula: C24H25FN4O3
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
• SMILES: COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)cc12
• InChI: InChI=1S/C24H25FN4O3/c1-32-22-3-2-15(25)10-18(22)17-4-7-26-23-19(17)12-20(28-23)14-5-8-29(9-6-14)24(31)21-11-16(30)13-27-21/h2-5,7,10,12,16,21,27,30H,6,8-9,11,13H2,1H3,(H,26,28)/t16-,21-/m0/s1
• InChIKey: AWSPBNDPIYXQST-KKSFZXQISA-N
• XLogP: 2.72
• TPSA: 90.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone?

The IUPAC name of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone (CID 118897436) is [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone.

What is the SMILES notation for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone?

The canonical SMILES for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)cc12.

What is the InChIKey of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone?

The InChIKey is AWSPBNDPIYXQST-KKSFZXQISA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-32-22-3-2-15(25)10-18(22)17-4-7-26-23-19(17)12-20(28-23)14-5-8-29(9-6-14)24(31)21-11-16(30)13-27-21/h2-5,7,10,12,16,21,27,30H,6,8-9,11,13H2,1H3,(H,26,28)/t16-,21-/m0/s1.

What are the key properties of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone?

[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone has a molecular weight of 436.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 118897436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).