3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C16H13IN4O2 — CID 163250301

IUPAC3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cc2c(-c3[nH]c4c(c3I)C(=O)NCC4)ccnc2cn1
InChIInChI=1S/C16H13IN4O2/c1-23-12-6-9-8(2-4-18-11(9)7-20-12)15-14(17)13-10(21-15)3-5-19-16(13)22/h2,4,6-7,21H,3,5H2,1H3,(H,19,22)
InChIKeyOIJKKXUVSRUBQM-UHFFFAOYSA-N
MW420.21 g/mol
LogP2.52
Rot. Bonds2

About 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163250301) has the molecular formula C16H13IN4O2 and a molecular weight of 420.21 g/mol. Its IUPAC name is 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID163250301
Molecular FormulaC16H13IN4O2
Molecular Weight420.21 g/mol
Exact Mass420.01
IUPAC Name3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cc2c(-c3[nH]c4c(c3I)C(=O)NCC4)ccnc2cn1
InChIInChI=1S/C16H13IN4O2/c1-23-12-6-9-8(2-4-18-11(9)7-20-12)15-14(17)13-10(21-15)3-5-19-16(13)22/h2,4,6-7,21H,3,5H2,1H3,(H,19,22)
InChIKeyOIJKKXUVSRUBQM-UHFFFAOYSA-N
XLogP2.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 163250301) is 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1cc2c(-c3[nH]c4c(c3I)C(=O)NCC4)ccnc2cn1.
What is the InChIKey of 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is OIJKKXUVSRUBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN4O2/c1-23-12-6-9-8(2-4-18-11(9)7-20-12)15-14(17)13-10(21-15)3-5-19-16(13)22/h2,4,6-7,21H,3,5H2,1H3,(H,19,22).
What are the key properties of 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 420.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163250301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).