1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid

C25H20FN5O3 — CID 25168643

IUPAC1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid
SMILESNc1n[nH]c2cc(F)cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc5c(cc43)CCC5)c12
InChIInChI=1S/C25H20FN5O3/c26-15-7-14(20-18(10-15)29-30-23(20)27)11-31-19-9-13-4-1-3-12(13)8-17(19)21(22(31)25(33)34)16-5-2-6-28-24(16)32/h2,5-10H,1,3-4,11H2,(H,28,32)(H,33,34)(H3,27,29,30)
InChIKeyYLWYAYLJNYDBBQ-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.83
Rot. Bonds4

About 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid

1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid (PubChem CID 25168643) has the molecular formula C25H20FN5O3 and a molecular weight of 457.47 g/mol. Its IUPAC name is 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid
PubChem CID25168643
Molecular FormulaC25H20FN5O3
Molecular Weight457.47 g/mol
Exact Mass457.16
IUPAC Name1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid
SMILESNc1n[nH]c2cc(F)cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc5c(cc43)CCC5)c12
InChIInChI=1S/C25H20FN5O3/c26-15-7-14(20-18(10-15)29-30-23(20)27)11-31-19-9-13-4-1-3-12(13)8-17(19)21(22(31)25(33)34)16-5-2-6-28-24(16)32/h2,5-10H,1,3-4,11H2,(H,28,32)(H,33,34)(H3,27,29,30)
InChIKeyYLWYAYLJNYDBBQ-UHFFFAOYSA-N
XLogP3.83
TPSA129.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?
The IUPAC name of 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid (CID 25168643) is 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid.
What is the SMILES notation for 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?
The canonical SMILES for 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid is Nc1n[nH]c2cc(F)cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc5c(cc43)CCC5)c12.
What is the InChIKey of 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?
The InChIKey is YLWYAYLJNYDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3/c26-15-7-14(20-18(10-15)29-30-23(20)27)11-31-19-9-13-4-1-3-12(13)8-17(19)21(22(31)25(33)34)16-5-2-6-28-24(16)32/h2,5-10H,1,3-4,11H2,(H,28,32)(H,33,34)(H3,27,29,30).
What are the key properties of 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?
1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid has a molecular weight of 457.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-fluoro-1H-indazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid is sourced from PubChem (CID 25168643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).