7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide

C18H15FIN5O3 — CID 88932158

IUPAC7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c2cncc(C#N)c21
InChIInChI=1S/C18H15FIN5O3/c1-25-16-10(7-21)8-22-9-12(16)15(17(25)18(27)24-28-5-4-26)23-14-3-2-11(20)6-13(14)19/h2-3,6,8-9,23,26H,4-5H2,1H3,(H,24,27)
InChIKeyQTWPMMHMLXAKAX-UHFFFAOYSA-N
MW495.25 g/mol
LogP2.59
Rot. Bonds6

About 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide

7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 88932158) has the molecular formula C18H15FIN5O3 and a molecular weight of 495.25 g/mol. Its IUPAC name is 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID88932158
Molecular FormulaC18H15FIN5O3
Molecular Weight495.25 g/mol
Exact Mass495.02
IUPAC Name7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c2cncc(C#N)c21
InChIInChI=1S/C18H15FIN5O3/c1-25-16-10(7-21)8-22-9-12(16)15(17(25)18(27)24-28-5-4-26)23-14-3-2-11(20)6-13(14)19/h2-3,6,8-9,23,26H,4-5H2,1H3,(H,24,27)
InChIKeyQTWPMMHMLXAKAX-UHFFFAOYSA-N
XLogP2.59
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.25
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyano-3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide;ethane
CID 143686852
7-bromo-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 59596529
3-(2-chloro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 59596564
3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
CID 59704749
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 44603081
[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate
CID 87407476
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-7-oxo-6H-thieno[2,3-d]pyridazine-2-carboxamide
CID 59703868
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
ethyl 7-chloro-3-(2-fluoro-4-methylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686841

Frequently Asked Questions

What is the IUPAC name of 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide (CID 88932158) is 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide is Cn1c(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c2cncc(C#N)c21.
What is the InChIKey of 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is QTWPMMHMLXAKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN5O3/c1-25-16-10(7-21)8-22-9-12(16)15(17(25)18(27)24-28-5-4-26)23-14-3-2-11(20)6-13(14)19/h2-3,6,8-9,23,26H,4-5H2,1H3,(H,24,27).
What are the key properties of 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 495.25 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 88932158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).