N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C98H104F12N30 — CID 160658166

IUPACN-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCN(CC)CCCc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.CN1CCN(CCCc2cc(Nc3[nH]nc4ncccc34)nc(-c3ccccc3C(F)(F)F)n2)CC1.FC(F)(F)c1ccccc1-c1nc(CCCN2CCCCC2)cc(Nc2[nH]nc3ncccc23)n1.FC(F)(F)c1ccccc1-c1nc(CCCN2CCNCC2)cc(Nc2[nH]nc3ncccc23)n1
InChIInChI=1S/C25H27F3N8.C25H26F3N7.C24H25F3N8.C24H26F3N7/c1-35-12-14-36(15-13-35)11-5-6-17-16-21(32-24-19-8-4-10-29-22(19)33-34-24)31-23(30-17)18-7-2-3-9-20(18)25(26,27)28;26-25(27,28)20-11-3-2-9-18(20)23-30-17(8-7-15-35-13-4-1-5-14-35)16-21(31-23)32-24-19-10-6-12-29-22(19)33-34-24;25-24(26,27)19-8-2-1-6-17(19)22-30-16(5-4-12-35-13-10-28-11-14-35)15-20(31-22)32-23-18-7-3-9-29-21(18)33-34-23;1-3-34(4-2)14-8-9-16-15-20(31-23-18-11-7-13-28-21(18)32-33-23)30-22(29-16)17-10-5-6-12-19(17)24(25,26)27/h2-4,7-10,16H,5-6,11-15H2,1H3,(H2,29,30,31,32,33,34);2-3,6,9-12,16H,1,4-5,7-8,13-15H2,(H2,29,30,31,32,33,34);1-3,6-9,15,28H,4-5,10-14H2,(H2,29,30,31,32,33,34);5-7,10-13,15H,3-4,8-9,14H2,1-2H3,(H2,28,29,30,31,32,33)
InChIKeyRLHZJMXNFRMRDO-UHFFFAOYSA-N
MW1930.10 g/mol
LogP19.42
Rot. Bonds30

About N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 160658166) has the molecular formula C98H104F12N30 and a molecular weight of 1930.10 g/mol. Its IUPAC name is N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID160658166
Molecular FormulaC98H104F12N30
Molecular Weight1930.10 g/mol
Exact Mass1928.89
IUPAC NameN-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCN(CC)CCCc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.CN1CCN(CCCc2cc(Nc3[nH]nc4ncccc34)nc(-c3ccccc3C(F)(F)F)n2)CC1.FC(F)(F)c1ccccc1-c1nc(CCCN2CCCCC2)cc(Nc2[nH]nc3ncccc23)n1.FC(F)(F)c1ccccc1-c1nc(CCCN2CCNCC2)cc(Nc2[nH]nc3ncccc23)n1
InChIInChI=1S/C25H27F3N8.C25H26F3N7.C24H25F3N8.C24H26F3N7/c1-35-12-14-36(15-13-35)11-5-6-17-16-21(32-24-19-8-4-10-29-22(19)33-34-24)31-23(30-17)18-7-2-3-9-20(18)25(26,27)28;26-25(27,28)20-11-3-2-9-18(20)23-30-17(8-7-15-35-13-4-1-5-14-35)16-21(31-23)32-24-19-10-6-12-29-22(19)33-34-24;25-24(26,27)19-8-2-1-6-17(19)22-30-16(5-4-12-35-13-10-28-11-14-35)15-20(31-22)32-23-18-7-3-9-29-21(18)33-34-23;1-3-34(4-2)14-8-9-16-15-20(31-23-18-11-7-13-28-21(18)32-33-23)30-22(29-16)17-10-5-6-12-19(17)24(25,26)27/h2-4,7-10,16H,5-6,11-15H2,1H3,(H2,29,30,31,32,33,34);2-3,6,9-12,16H,1,4-5,7-8,13-15H2,(H2,29,30,31,32,33,34);1-3,6-9,15,28H,4-5,10-14H2,(H2,29,30,31,32,33,34);5-7,10-13,15H,3-4,8-9,14H2,1-2H3,(H2,28,29,30,31,32,33)
InChIKeyRLHZJMXNFRMRDO-UHFFFAOYSA-N
XLogP19.42
TPSA345.75 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.10
LogP ≤ 519.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 160658166) is N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is CCN(CC)CCCc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.CN1CCN(CCCc2cc(Nc3[nH]nc4ncccc34)nc(-c3ccccc3C(F)(F)F)n2)CC1.FC(F)(F)c1ccccc1-c1nc(CCCN2CCCCC2)cc(Nc2[nH]nc3ncccc23)n1.FC(F)(F)c1ccccc1-c1nc(CCCN2CCNCC2)cc(Nc2[nH]nc3ncccc23)n1.
What is the InChIKey of N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is RLHZJMXNFRMRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N8.C25H26F3N7.C24H25F3N8.C24H26F3N7/c1-35-12-14-36(15-13-35)11-5-6-17-16-21(32-24-19-8-4-10-29-22(19)33-34-24)31-23(30-17)18-7-2-3-9-20(18)25(26,27)28;26-25(27,28)20-11-3-2-9-18(20)23-30-17(8-7-15-35-13-4-1-5-14-35)16-21(31-23)32-24-19-10-6-12-29-22(19)33-34-24;25-24(26,27)19-8-2-1-6-17(19)22-30-16(5-4-12-35-13-10-28-11-14-35)15-20(31-22)32-23-18-7-3-9-29-21(18)33-34-23;1-3-34(4-2)14-8-9-16-15-20(31-23-18-11-7-13-28-21(18)32-33-23)30-22(29-16)17-10-5-6-12-19(17)24(25,26)27/h2-4,7-10,16H,5-6,11-15H2,1H3,(H2,29,30,31,32,33,34);2-3,6,9-12,16H,1,4-5,7-8,13-15H2,(H2,29,30,31,32,33,34);1-3,6-9,15,28H,4-5,10-14H2,(H2,29,30,31,32,33,34);5-7,10-13,15H,3-4,8-9,14H2,1-2H3,(H2,28,29,30,31,32,33).
What are the key properties of N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 1930.10 g/mol, XLogP of 19.42, 30 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 160658166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).