3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C64H77F7N20O2 — CID 159671776

IUPAC3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1.Cc1cc([C@@H]2CC(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)n[nH]1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H26F3N7O.C21H23F3N6O.C20H20FN7.4H2/c24-23(25,26)16-6-7-17(29-19(16)18-15-5-4-10-28-20(15)31-30-18)32-13-8-22(9-14-32,21(27)34)33-11-2-1-3-12-33;1-12-10-30(11-15(26-12)20(31)7-3-8-20)16-6-5-14(21(22,23)24)18(27-16)17-13-4-2-9-25-19(13)29-28-17;1-11-9-17(26-25-11)16-10-12(6-8-22-16)15-5-4-14(21)19(24-15)18-13-3-2-7-23-20(13)28-27-18;;;;/h4-7,10H,1-3,8-9,11-14H2,(H2,27,34)(H,28,30,31);2,4-6,9,12,15,26,31H,3,7-8,10-11H2,1H3,(H,25,28,29);2-5,7,9,12,16,22H,6,8,10H2,1H3,(H,25,26)(H,23,27,28);4*1H/t;;12?,16-;;;;/m..0..../s1
InChIKeyMUBZPSOJDBSMLN-YTQWTMTDSA-N
MW1291.44 g/mol
LogP10.85
Rot. Bonds10

About 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 159671776) has the molecular formula C64H77F7N20O2 and a molecular weight of 1291.44 g/mol. Its IUPAC name is 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID159671776
Molecular FormulaC64H77F7N20O2
Molecular Weight1291.44 g/mol
Exact Mass1290.64
IUPAC Name3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1.Cc1cc([C@@H]2CC(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)n[nH]1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H26F3N7O.C21H23F3N6O.C20H20FN7.4H2/c24-23(25,26)16-6-7-17(29-19(16)18-15-5-4-10-28-20(15)31-30-18)32-13-8-22(9-14-32,21(27)34)33-11-2-1-3-12-33;1-12-10-30(11-15(26-12)20(31)7-3-8-20)16-6-5-14(21(22,23)24)18(27-16)17-13-4-2-9-25-19(13)29-28-17;1-11-9-17(26-25-11)16-10-12(6-8-22-16)15-5-4-14(21)19(24-15)18-13-3-2-7-23-20(13)28-27-18;;;;/h4-7,10H,1-3,8-9,11-14H2,(H2,27,34)(H,28,30,31);2,4-6,9,12,15,26,31H,3,7-8,10-11H2,1H3,(H,25,28,29);2-5,7,9,12,16,22H,6,8,10H2,1H3,(H,25,26)(H,23,27,28);4*1H/t;;12?,16-;;;;/m..0..../s1
InChIKeyMUBZPSOJDBSMLN-YTQWTMTDSA-N
XLogP10.85
TPSA289.16 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001291.44
LogP ≤ 510.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US9593097, Example 358
CID 121426649
1-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol
CID 53308753
2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl]piperazin-2-yl]-1,1,1-trifluoropropan-2-ol
CID 53354077
2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl]piperazin-2-yl]-4,4,4-trifluorobutan-2-ol
CID 53354172
1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl]piperazin-2-yl]-3-methylbutan-2-ol
CID 67949794
1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-yl]piperazin-2-yl]cyclobutan-1-ol
CID 67949820
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol
CID 67949826
3,3-difluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl]piperazin-2-yl]butan-2-ol
CID 67949830
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol
CID 67949838
1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-yl]piperazin-2-yl]cyclobutan-1-ol
CID 67949843
N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 121258736
N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145037358

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 159671776) is 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1.Cc1cc([C@@H]2CC(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)n[nH]1.NC(=O)C1(N2CCCCC2)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is MUBZPSOJDBSMLN-YTQWTMTDSA-N. The full InChI is InChI=1S/C23H26F3N7O.C21H23F3N6O.C20H20FN7.4H2/c24-23(25,26)16-6-7-17(29-19(16)18-15-5-4-10-28-20(15)31-30-18)32-13-8-22(9-14-32,21(27)34)33-11-2-1-3-12-33;1-12-10-30(11-15(26-12)20(31)7-3-8-20)16-6-5-14(21(22,23)24)18(27-16)17-13-4-2-9-25-19(13)29-28-17;1-11-9-17(26-25-11)16-10-12(6-8-22-16)15-5-4-14(21)19(24-15)18-13-3-2-7-23-20(13)28-27-18;;;;/h4-7,10H,1-3,8-9,11-14H2,(H2,27,34)(H,28,30,31);2,4-6,9,12,15,26,31H,3,7-8,10-11H2,1H3,(H,25,28,29);2-5,7,9,12,16,22H,6,8,10H2,1H3,(H,25,26)(H,23,27,28);4*1H/t;;12?,16-;;;;/m..0..../s1.
What are the key properties of 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 1291.44 g/mol, XLogP of 10.85, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-6-[(2S)-2-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;molecular hydrogen;4-piperidin-1-yl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 159671776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).