3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol

C75H90ClF4N23O — CID 162080601

IUPAC3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)CC1(C)CN(c2ccc(Cl)c(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Fc1ccc(C2CCNCC2)nc1-c1[nH]nc2ncccc12.[H][H]
InChIInChI=1S/C20H25ClN6.C20H26N6.C19H21F3N6O.C16H16FN5.H2/c1-13(2)11-20(3)12-27(10-9-23-20)16-7-6-15(21)18(24-16)17-14-5-4-8-22-19(14)26-25-17;1-14(2)12-20(3)13-26(11-10-22-20)17-8-4-7-16(23-17)18-15-6-5-9-21-19(15)25-24-18;1-18(2,29)13-10-28(9-8-23-13)14-6-5-12(19(20,21)22)16(25-14)15-11-4-3-7-24-17(11)27-26-15;17-12-3-4-13(10-5-8-18-9-6-10)20-15(12)14-11-2-1-7-19-16(11)22-21-14;/h4-8,13,23H,9-12H2,1-3H3,(H,22,25,26);4-9,14,22H,10-13H2,1-3H3,(H,21,24,25);3-7,13,23,29H,8-10H2,1-2H3,(H,24,26,27);1-4,7,10,18H,5-6,8-9H2,(H,19,21,22);1H
InChIKeyZCHDOHQWURMRJI-UHFFFAOYSA-N
MW1441.15 g/mol
LogP12.58
Rot. Bonds13

About 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol

3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol (PubChem CID 162080601) has the molecular formula C75H90ClF4N23O and a molecular weight of 1441.15 g/mol. Its IUPAC name is 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
PubChem CID162080601
Molecular FormulaC75H90ClF4N23O
Molecular Weight1441.15 g/mol
Exact Mass1439.73
IUPAC Name3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)CC1(C)CN(c2ccc(Cl)c(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Fc1ccc(C2CCNCC2)nc1-c1[nH]nc2ncccc12.[H][H]
InChIInChI=1S/C20H25ClN6.C20H26N6.C19H21F3N6O.C16H16FN5.H2/c1-13(2)11-20(3)12-27(10-9-23-20)16-7-6-15(21)18(24-16)17-14-5-4-8-22-19(14)26-25-17;1-14(2)12-20(3)13-26(11-10-22-20)17-8-4-7-16(23-17)18-15-6-5-9-21-19(15)25-24-18;1-18(2,29)13-10-28(9-8-23-13)14-6-5-12(19(20,21)22)16(25-14)15-11-4-3-7-24-17(11)27-26-15;17-12-3-4-13(10-5-8-18-9-6-10)20-15(12)14-11-2-1-7-19-16(11)22-21-14;/h4-8,13,23H,9-12H2,1-3H3,(H,22,25,26);4-9,14,22H,10-13H2,1-3H3,(H,21,24,25);3-7,13,23,29H,8-10H2,1-2H3,(H,24,26,27);1-4,7,10,18H,5-6,8-9H2,(H,19,21,22);1H
InChIKeyZCHDOHQWURMRJI-UHFFFAOYSA-N
XLogP12.58
TPSA295.91 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.15
LogP ≤ 512.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol with MolForge

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Launch Full Analysis

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
(R)-2-((S)-4-(3-chloro-5-fluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53354074
(2R)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583135
(2S)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583137
(2S)-2-[(2R)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583136
(2R)-2-[(2R)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583245
(2R)-2-[(2S)-4-[5-chloro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583246
(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
2-(4-(3-chloro-5-fluoro-6-(1H-pyrazolo(3,4-b)pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 76020395
2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-yl]piperazin-2-yl]propan-2-ol
CID 45101294
(S)-2-(4-(3,5-difluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)propan-2-ol
CID 53341185
3-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]pentan-3-ol
CID 53341186

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
The IUPAC name of 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol (CID 162080601) is 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol.
What is the SMILES notation for 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
The canonical SMILES for 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol is CC(C)(O)C1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)CC1(C)CN(c2ccc(Cl)c(-c3[nH]nc4ncccc34)n2)CCN1.CC(C)CC1(C)CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.Fc1ccc(C2CCNCC2)nc1-c1[nH]nc2ncccc12.[H][H].
What is the InChIKey of 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
The InChIKey is ZCHDOHQWURMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6.C20H26N6.C19H21F3N6O.C16H16FN5.H2/c1-13(2)11-20(3)12-27(10-9-23-20)16-7-6-15(21)18(24-16)17-14-5-4-8-22-19(14)26-25-17;1-14(2)12-20(3)13-26(11-10-22-20)17-8-4-7-16(23-17)18-15-6-5-9-21-19(15)25-24-18;1-18(2,29)13-10-28(9-8-23-13)14-6-5-12(19(20,21)22)16(25-14)15-11-4-3-7-24-17(11)27-26-15;17-12-3-4-13(10-5-8-18-9-6-10)20-15(12)14-11-2-1-7-19-16(11)22-21-14;/h4-8,13,23H,9-12H2,1-3H3,(H,22,25,26);4-9,14,22H,10-13H2,1-3H3,(H,21,24,25);3-7,13,23,29H,8-10H2,1-2H3,(H,24,26,27);1-4,7,10,18H,5-6,8-9H2,(H,19,21,22);1H.
What are the key properties of 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol?
3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol has a molecular weight of 1441.15 g/mol, XLogP of 12.58, 13 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-(3-fluoro-6-piperidin-4-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-methyl-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]propan-2-ol is sourced from PubChem (CID 162080601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).