N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide

C17H15IN4O2 — CID 162687033

IUPACN-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3ccn(C4CC4)c(=O)c3c2I)ccn1
InChIInChI=1S/C17H15IN4O2/c1-9(23)20-13-8-10(4-6-19-13)16-15(18)14-12(21-16)5-7-22(17(14)24)11-2-3-11/h4-8,11,21H,2-3H2,1H3,(H,19,20,23)
InChIKeyHXYFTKCOXNCJGP-UHFFFAOYSA-N
MW434.24 g/mol
LogP3.29
Rot. Bonds3

About N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide

N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 162687033) has the molecular formula C17H15IN4O2 and a molecular weight of 434.24 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
PubChem CID162687033
Molecular FormulaC17H15IN4O2
Molecular Weight434.24 g/mol
Exact Mass434.02
IUPAC NameN-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3ccn(C4CC4)c(=O)c3c2I)ccn1
InChIInChI=1S/C17H15IN4O2/c1-9(23)20-13-8-10(4-6-19-13)16-15(18)14-12(21-16)5-7-22(17(14)24)11-2-3-11/h4-8,11,21H,2-3H2,1H3,(H,19,20,23)
InChIKeyHXYFTKCOXNCJGP-UHFFFAOYSA-N
XLogP3.29
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 53.29
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 N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide (CID 162687033) is N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3ccn(C4CC4)c(=O)c3c2I)ccn1.
What is the InChIKey of N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is HXYFTKCOXNCJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN4O2/c1-9(23)20-13-8-10(4-6-19-13)16-15(18)14-12(21-16)5-7-22(17(14)24)11-2-3-11/h4-8,11,21H,2-3H2,1H3,(H,19,20,23).
What are the key properties of N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide?
N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 434.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 162687033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).