3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol

C58H70F9N17O — CID 158304603

IUPAC3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol
SMILESCC1(N)CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.FC(F)(F)c1ccc(N2CCC(N3CCCCC3)CC2)nc1-c1[nH]nc2ncccc12.OCC1CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H25F3N6.C18H19F3N6.C18H18F3N5O.4H2/c23-22(24,25)17-6-7-18(27-20(17)19-16-5-4-10-26-21(16)29-28-19)31-13-8-15(9-14-31)30-11-2-1-3-12-30;1-17(22)7-3-9-27(10-17)13-6-5-12(18(19,20)21)15(24-13)14-11-4-2-8-23-16(11)26-25-14;19-18(20,21)13-3-4-14(26-8-5-11(10-27)6-9-26)23-16(13)15-12-2-1-7-22-17(12)25-24-15;;;;/h4-7,10,15H,1-3,8-9,11-14H2,(H,26,28,29);2,4-6,8H,3,7,9-10,22H2,1H3,(H,23,25,26);1-4,7,11,27H,5-6,8-10H2,(H,22,24,25);4*1H
InChIKeyGMXQTNRBVXRORT-UHFFFAOYSA-N
MW1192.30 g/mol
LogP12.08
Rot. Bonds8

About 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol

3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol (PubChem CID 158304603) has the molecular formula C58H70F9N17O and a molecular weight of 1192.30 g/mol. Its IUPAC name is 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol
PubChem CID158304603
Molecular FormulaC58H70F9N17O
Molecular Weight1192.30 g/mol
Exact Mass1191.58
IUPAC Name3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol
SMILESCC1(N)CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.FC(F)(F)c1ccc(N2CCC(N3CCCCC3)CC2)nc1-c1[nH]nc2ncccc12.OCC1CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H25F3N6.C18H19F3N6.C18H18F3N5O.4H2/c23-22(24,25)17-6-7-18(27-20(17)19-16-5-4-10-26-21(16)29-28-19)31-13-8-15(9-14-31)30-11-2-1-3-12-30;1-17(22)7-3-9-27(10-17)13-6-5-12(18(19,20)21)15(24-13)14-11-4-2-8-23-16(11)26-25-14;19-18(20,21)13-3-4-14(26-8-5-11(10-27)6-9-26)23-16(13)15-12-2-1-7-22-17(12)25-24-15;;;;/h4-7,10,15H,1-3,8-9,11-14H2,(H,26,28,29);2,4-6,8H,3,7,9-10,22H2,1H3,(H,23,25,26);1-4,7,11,27H,5-6,8-10H2,(H,22,24,25);4*1H
InChIKeyGMXQTNRBVXRORT-UHFFFAOYSA-N
XLogP12.08
TPSA222.59 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.30
LogP ≤ 512.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

(R)-2-((S)-4-(3,5-difluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53308750
(2R)-3-methyl-2-[(2S)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]butan-2-ol
CID 71583247
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137034346
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040606
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137117073
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137145040
(3R)-4-[7-[1-[5-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 163937839
(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 168678888
US10544143, Example 75
CID 138686399
3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 67949900
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137038358
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137116529

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol (CID 158304603) is 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol is CC1(N)CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.FC(F)(F)c1ccc(N2CCC(N3CCCCC3)CC2)nc1-c1[nH]nc2ncccc12.OCC1CCN(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-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is GMXQTNRBVXRORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6.C18H19F3N6.C18H18F3N5O.4H2/c23-22(24,25)17-6-7-18(27-20(17)19-16-5-4-10-26-21(16)29-28-19)31-13-8-15(9-14-31)30-11-2-1-3-12-30;1-17(22)7-3-9-27(10-17)13-6-5-12(18(19,20)21)15(24-13)14-11-4-2-8-23-16(11)26-25-14;19-18(20,21)13-3-4-14(26-8-5-11(10-27)6-9-26)23-16(13)15-12-2-1-7-22-17(12)25-24-15;;;;/h4-7,10,15H,1-3,8-9,11-14H2,(H,26,28,29);2,4-6,8H,3,7,9-10,22H2,1H3,(H,23,25,26);1-4,7,11,27H,5-6,8-10H2,(H,22,24,25);4*1H.
What are the key properties of 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol?
3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 1192.30 g/mol, XLogP of 12.08, 8 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine;molecular hydrogen;3-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 158304603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).