7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid

About 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid

7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid (PubChem CID 25109156) has the molecular formula C24H18F2N6O4 and a molecular weight of 492.44 g/mol. Its IUPAC name is 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid.

Molecular Properties

Compound Name	7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid
PubChem CID	25109156
Molecular Formula	C24H18F2N6O4
Molecular Weight	492.44 g/mol
Exact Mass	492.14
IUPAC Name	7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid
SMILES	Nc1[nH]nc2nc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(c(F)cc43)CCCO5)cc12
InChI	InChI=1S/C24H18F2N6O4/c25-14-8-15-17(19-11(14)4-2-6-36-19)16(12-3-1-5-28-23(12)33)18(24(34)35)32(15)9-10-7-13-21(27)30-31-22(13)29-20(10)26/h1,3,5,7-8H,2,4,6,9H2,(H,28,33)(H,34,35)(H3,27,29,30,31)
InChIKey	VSXVCTLUUCTUFP-UHFFFAOYSA-N
XLogP	3.20
TPSA	151.91 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.44
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?

The IUPAC name of 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid (CID 25109156) is 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid.

What is the SMILES notation for 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?

The canonical SMILES for 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid is Nc1[nH]nc2nc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(c(F)cc43)CCCO5)cc12.

What is the InChIKey of 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?

The InChIKey is VSXVCTLUUCTUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O4/c25-14-8-15-17(19-11(14)4-2-6-36-19)16(12-3-1-5-28-23(12)33)18(24(34)35)32(15)9-10-7-13-21(27)30-31-22(13)29-20(10)26/h1,3,5,7-8H,2,4,6,9H2,(H,28,33)(H,34,35)(H3,27,29,30,31).

What are the key properties of 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?

7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid has a molecular weight of 492.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-amino-6-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid is sourced from PubChem (CID 25109156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).