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

C69H80F12N24 — CID 160755531

IUPACmolecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CCCNC2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCCN2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCNC2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCNCC2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H19F3N6.3C17H17F3N6.5H2/c19-18(20,21)13-3-4-14(24-10-11-5-8-22-9-6-11)25-16(13)15-12-2-1-7-23-17(12)27-26-15;18-17(19,20)12-5-6-13(23-9-10-3-1-7-21-10)24-15(12)14-11-4-2-8-22-16(11)26-25-14;18-17(19,20)12-5-6-13(23-10-3-1-7-21-9-10)24-15(12)14-11-4-2-8-22-16(11)26-25-14;18-17(19,20)12-3-4-13(23-9-10-5-7-21-8-10)24-15(12)14-11-2-1-6-22-16(11)26-25-14;;;;;/h1-4,7,11,22H,5-6,8-10H2,(H,24,25)(H,23,26,27);2*2,4-6,8,10,21H,1,3,7,9H2,(H,23,24)(H,22,25,26);1-4,6,10,21H,5,7-9H2,(H,23,24)(H,22,25,26);5*1H
InChIKeyRXJKYVIKANEMHS-UHFFFAOYSA-N
MW1473.54 g/mol
LogP14.15
Rot. Bonds15

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

molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 160755531) has the molecular formula C69H80F12N24 and a molecular weight of 1473.54 g/mol. Its IUPAC name is molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID160755531
Molecular FormulaC69H80F12N24
Molecular Weight1473.54 g/mol
Exact Mass1472.68
IUPAC Namemolecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CCCNC2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCCN2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCNC2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCNCC2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H19F3N6.3C17H17F3N6.5H2/c19-18(20,21)13-3-4-14(24-10-11-5-8-22-9-6-11)25-16(13)15-12-2-1-7-23-17(12)27-26-15;18-17(19,20)12-5-6-13(23-9-10-3-1-7-21-10)24-15(12)14-11-4-2-8-22-16(11)26-25-14;18-17(19,20)12-5-6-13(23-10-3-1-7-21-9-10)24-15(12)14-11-4-2-8-22-16(11)26-25-14;18-17(19,20)12-3-4-13(23-9-10-5-7-21-8-10)24-15(12)14-11-2-1-6-22-16(11)26-25-14;;;;;/h1-4,7,11,22H,5-6,8-10H2,(H,24,25)(H,23,26,27);2*2,4-6,8,10,21H,1,3,7,9H2,(H,23,24)(H,22,25,26);1-4,6,10,21H,5,7-9H2,(H,23,24)(H,22,25,26);5*1H
InChIKeyRXJKYVIKANEMHS-UHFFFAOYSA-N
XLogP14.15
TPSA314.08 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001473.54
LogP ≤ 514.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-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
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
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
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 160755531) is molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NC2CCCNC2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCCN2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCNC2)nc1-c1[nH]nc2ncccc12.FC(F)(F)c1ccc(NCC2CCNCC2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RXJKYVIKANEMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6.3C17H17F3N6.5H2/c19-18(20,21)13-3-4-14(24-10-11-5-8-22-9-6-11)25-16(13)15-12-2-1-7-23-17(12)27-26-15;18-17(19,20)12-5-6-13(23-9-10-3-1-7-21-10)24-15(12)14-11-4-2-8-22-16(11)26-25-14;18-17(19,20)12-5-6-13(23-10-3-1-7-21-9-10)24-15(12)14-11-4-2-8-22-16(11)26-25-14;18-17(19,20)12-3-4-13(23-9-10-5-7-21-8-10)24-15(12)14-11-2-1-6-22-16(11)26-25-14;;;;;/h1-4,7,11,22H,5-6,8-10H2,(H,24,25)(H,23,26,27);2*2,4-6,8,10,21H,1,3,7,9H2,(H,23,24)(H,22,25,26);1-4,6,10,21H,5,7-9H2,(H,23,24)(H,22,25,26);5*1H.
What are the key properties of molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1473.54 g/mol, XLogP of 14.15, 15 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;N-piperidin-3-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 160755531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).