N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

C24H26N4O4 — CID 163261736

About N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (PubChem CID 163261736) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
• PubChem CID: 163261736
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
• SMILES: CO[C@@]1(c2cc(C)cc(-n3cc(C#CCCO)c4cnc(NC(C)=O)cc43)n2)CCOC1
• InChI: InChI=1S/C24H26N4O4/c1-16-10-21(24(31-3)7-9-32-15-24)27-23(11-16)28-14-18(6-4-5-8-29)19-13-25-22(12-20(19)28)26-17(2)30/h10-14,29H,5,7-9,15H2,1-3H3,(H,25,26,30)/t24-/m0/s1
• InChIKey: OJAFBPVQEYGXSE-DEOSSOPVSA-N
• XLogP: 2.68
• TPSA: 98.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?

The IUPAC name of N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (CID 163261736) is N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is CO[C@@]1(c2cc(C)cc(-n3cc(C#CCCO)c4cnc(NC(C)=O)cc43)n2)CCOC1.

What is the InChIKey of N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?

The InChIKey is OJAFBPVQEYGXSE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-10-21(24(31-3)7-9-32-15-24)27-23(11-16)28-14-18(6-4-5-8-29)19-13-25-22(12-20(19)28)26-17(2)30/h10-14,29H,5,7-9,15H2,1-3H3,(H,25,26,30)/t24-/m0/s1.

What are the key properties of N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?

N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 163261736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).