molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C69H84F3N23O — CID 161147695

About molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 161147695) has the molecular formula C69H84F3N23O and a molecular weight of 1308.58 g/mol. Its IUPAC name is molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
• PubChem CID: 161147695
• Molecular Formula: C69H84F3N23O
• Molecular Weight: 1308.58 g/mol
• Exact Mass: 1307.72
• IUPAC Name: molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
• SMILES: O[C@H](CNc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(NC2CCNCC2)nc(-c2[nH]nc3ncccc23)c1.c1cc(NCC2CCCN2)nc(-c2[nH]nc3ncccc23)c1.c1cc(NCC2CCNCC2)nc(-c2[nH]nc3ncccc23)c1
• InChI: InChI=1S/C20H16F3N5O.C17H20N6.2C16H18N6.6H2/c21-20(22,23)14-8-9-16(25-11-15(29)12-5-2-1-3-6-12)26-18(14)17-13-7-4-10-24-19(13)28-27-17;1-4-14(16-13-3-2-8-19-17(13)23-22-16)21-15(5-1)20-11-12-6-9-18-10-7-12;1-6-13(15-12-5-3-9-18-16(12)22-21-15)20-14(7-1)19-10-11-4-2-8-17-11;1-4-13(15-12-3-2-8-18-16(12)22-21-15)20-14(5-1)19-11-6-9-17-10-7-11;;;;;;/h1-10,15,29H,11H2,(H,25,26)(H,24,27,28);1-5,8,12,18H,6-7,9-11H2,(H,20,21)(H,19,22,23);1,3,5-7,9,11,17H,2,4,8,10H2,(H,19,20)(H,18,21,22);1-5,8,11,17H,6-7,9-10H2,(H,19,20)(H,18,21,22);6*1H/t15-;;;;;;;;;/m1........./s1
• InChIKey: UOGSKGRSOQABBJ-MSZIMKPFSA-N
• XLogP: 12.46
• TPSA: 322.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1308.58
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?

The IUPAC name of molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 161147695) is molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

What is the SMILES notation for molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?

The canonical SMILES for molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is O[C@H](CNc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(NC2CCNCC2)nc(-c2[nH]nc3ncccc23)c1.c1cc(NCC2CCCN2)nc(-c2[nH]nc3ncccc23)c1.c1cc(NCC2CCNCC2)nc(-c2[nH]nc3ncccc23)c1.

What is the InChIKey of molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?

The InChIKey is UOGSKGRSOQABBJ-MSZIMKPFSA-N. The full InChI is InChI=1S/C20H16F3N5O.C17H20N6.2C16H18N6.6H2/c21-20(22,23)14-8-9-16(25-11-15(29)12-5-2-1-3-6-12)26-18(14)17-13-7-4-10-24-19(13)28-27-17;1-4-14(16-13-3-2-8-19-17(13)23-22-16)21-15(5-1)20-11-12-6-9-18-10-7-12;1-6-13(15-12-5-3-9-18-16(12)22-21-15)20-14(7-1)19-10-11-4-2-8-17-11;1-4-13(15-12-3-2-8-18-16(12)22-21-15)20-14(5-1)19-11-6-9-17-10-7-11;;;;;;/h1-10,15,29H,11H2,(H,25,26)(H,24,27,28);1-5,8,12,18H,6-7,9-11H2,(H,20,21)(H,19,22,23);1,3,5-7,9,11,17H,2,4,8,10H2,(H,19,20)(H,18,21,22);1-5,8,11,17H,6-7,9-10H2,(H,19,20)(H,18,21,22);6*1H/t15-;;;;;;;;;/m1........./s1.

What are the key properties of molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?

molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 1308.58 g/mol, XLogP of 12.46, 16 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 161147695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).