[3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

C57H58F3N15O2 — CID 167563695

About [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

[3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 167563695) has the molecular formula C57H58F3N15O2 and a molecular weight of 1042.19 g/mol. Its IUPAC name is [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

• Compound Name: [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
• PubChem CID: 167563695
• Molecular Formula: C57H58F3N15O2
• Molecular Weight: 1042.19 g/mol
• Exact Mass: 1041.49
• IUPAC Name: [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
• SMILES: Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12.Nc1nn(C(=O)C2CCCC2)c2nc(Nc3cccc4c3CCC4)c(F)cc12.O=C(Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12)C1CCCC1
• InChI: InChI=1S/2C21H22FN5O.C15H14FN5/c22-16-11-15-18(23)26-27(21(28)13-5-1-2-6-13)20(15)25-19(16)24-17-10-4-8-12-7-3-9-14(12)17;22-16-11-15-18(26-27-19(15)25-21(28)13-5-1-2-6-13)24-20(16)23-17-10-4-8-12-7-3-9-14(12)17;16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12/h4,8,10-11,13H,1-3,5-7,9H2,(H2,23,26)(H,24,25);4,8,10-11,13H,1-3,5-7,9H2,(H3,23,24,25,26,27,28);2,4,6-7H,1,3,5H2,(H4,17,18,19,20,21)
• InChIKey: DZRHVKGATQACGX-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 248.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1042.19
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?

The IUPAC name of [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (CID 167563695) is [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.

What is the SMILES notation for [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?

The canonical SMILES for [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is Nc1[nH]nc2nc(Nc3cccc4c3CCC4)c(F)cc12.Nc1nn(C(=O)C2CCCC2)c2nc(Nc3cccc4c3CCC4)c(F)cc12.O=C(Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12)C1CCCC1.

What is the InChIKey of [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?

The InChIKey is DZRHVKGATQACGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22FN5O.C15H14FN5/c22-16-11-15-18(23)26-27(21(28)13-5-1-2-6-13)20(15)25-19(16)24-17-10-4-8-12-7-3-9-14(12)17;22-16-11-15-18(26-27-19(15)25-21(28)13-5-1-2-6-13)24-20(16)23-17-10-4-8-12-7-3-9-14(12)17;16-11-7-10-13(17)20-21-14(10)19-15(11)18-12-6-2-4-8-3-1-5-9(8)12/h4,8,10-11,13H,1-3,5-7,9H2,(H2,23,26)(H,24,25);4,8,10-11,13H,1-3,5-7,9H2,(H3,23,24,25,26,27,28);2,4,6-7H,1,3,5H2,(H4,17,18,19,20,21).

What are the key properties of [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?

[3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 1042.19 g/mol, XLogP of 11.58, 9 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoropyrazolo[3,4-b]pyridin-1-yl]-cyclopentylmethanone;N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide;6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 167563695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).