N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide

C17H16FN5O — CID 151741951

IUPACN-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C17H16FN5O/c1-9(24)19-15-12-8-13(18)17(21-16(12)23-22-15)20-14-7-3-5-10-4-2-6-11(10)14/h3,5,7-8H,2,4,6H2,1H3,(H3,19,20,21,22,23,24)
InChIKeyRMSKEGRLWYJMHM-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.29
Rot. Bonds3

About N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide

N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide (PubChem CID 151741951) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
PubChem CID151741951
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12
InChIInChI=1S/C17H16FN5O/c1-9(24)19-15-12-8-13(18)17(21-16(12)23-22-15)20-14-7-3-5-10-4-2-6-11(10)14/h3,5,7-8H,2,4,6H2,1H3,(H3,19,20,21,22,23,24)
InChIKeyRMSKEGRLWYJMHM-UHFFFAOYSA-N
XLogP3.29
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide (CID 151741951) is N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide is CC(=O)Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12.
What is the InChIKey of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The InChIKey is RMSKEGRLWYJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-9(24)19-15-12-8-13(18)17(21-16(12)23-22-15)20-14-7-3-5-10-4-2-6-11(10)14/h3,5,7-8H,2,4,6H2,1H3,(H3,19,20,21,22,23,24).
What are the key properties of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide has a molecular weight of 325.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 151741951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).