3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine

C21H26N4O3 — CID 139504147

About 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine

3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine (PubChem CID 139504147) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine.

Molecular Properties

• Compound Name: 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine
• PubChem CID: 139504147
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine
• SMILES: CNc1cc2c(-c3cc(COC)cc([C@@]4(OC)CCOC4)n3)cn(C)c2cn1
• InChI: InChI=1S/C21H26N4O3/c1-22-20-9-15-16(11-25(2)18(15)10-23-20)17-7-14(12-26-3)8-19(24-17)21(27-4)5-6-28-13-21/h7-11H,5-6,12-13H2,1-4H3,(H,22,23)/t21-/m1/s1
• InChIKey: DWRIFCFIUGBVBA-OAQYLSRUSA-N
• XLogP: 3.09
• TPSA: 70.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine?

The IUPAC name of 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine (CID 139504147) is 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine.

What is the SMILES notation for 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine?

The canonical SMILES for 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine is CNc1cc2c(-c3cc(COC)cc([C@@]4(OC)CCOC4)n3)cn(C)c2cn1.

What is the InChIKey of 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine?

The InChIKey is DWRIFCFIUGBVBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-22-20-9-15-16(11-25(2)18(15)10-23-20)17-7-14(12-26-3)8-19(24-17)21(27-4)5-6-28-13-21/h7-11H,5-6,12-13H2,1-4H3,(H,22,23)/t21-/m1/s1.

What are the key properties of 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine?

3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine has a molecular weight of 382.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine is sourced from PubChem (CID 139504147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).