2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C21H20FN5O3 — CID 136953112

IUPAC2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2cc(-c3nn(CCN4CCOCC4)c4ccc(F)cc34)[nH]c12
InChIInChI=1S/C21H20FN5O3/c22-13-1-2-18-15(11-13)20(25-27(18)6-5-26-7-9-30-10-8-26)17-12-16-19(24-17)14(21(28)29)3-4-23-16/h1-4,11-12,24H,5-10H2,(H,28,29)
InChIKeyDYFQVMZDYDVEKS-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.75
Rot. Bonds5

About 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 136953112) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID136953112
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2cc(-c3nn(CCN4CCOCC4)c4ccc(F)cc34)[nH]c12
InChIInChI=1S/C21H20FN5O3/c22-13-1-2-18-15(11-13)20(25-27(18)6-5-26-7-9-30-10-8-26)17-12-16-19(24-17)14(21(28)29)3-4-23-16/h1-4,11-12,24H,5-10H2,(H,28,29)
InChIKeyDYFQVMZDYDVEKS-UHFFFAOYSA-N
XLogP2.75
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 136953112) is 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2cc(-c3nn(CCN4CCOCC4)c4ccc(F)cc34)[nH]c12.
What is the InChIKey of 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is DYFQVMZDYDVEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c22-13-1-2-18-15(11-13)20(25-27(18)6-5-26-7-9-30-10-8-26)17-12-16-19(24-17)14(21(28)29)3-4-23-16/h1-4,11-12,24H,5-10H2,(H,28,29).
What are the key properties of 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 409.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136953112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).