1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

C23H20F3N9 — CID 67959941

IUPAC1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cnc6n[nH]c(C(F)(F)F)c6c5)cc34)n2)CC1
InChIInChI=1S/C23H20F3N9/c24-23(25,26)21-16-8-13(9-29-22(16)34-33-21)12-1-2-17-15(7-12)20(32-31-17)18-10-28-11-19(30-18)35-5-3-14(27)4-6-35/h1-2,7-11,14H,3-6,27H2,(H,31,32)(H,29,33,34)
InChIKeyGSAKXWZCIGDYLM-UHFFFAOYSA-N
MW479.47 g/mol
LogP3.90
Rot. Bonds3

About 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 67959941) has the molecular formula C23H20F3N9 and a molecular weight of 479.47 g/mol. Its IUPAC name is 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
PubChem CID67959941
Molecular FormulaC23H20F3N9
Molecular Weight479.47 g/mol
Exact Mass479.18
IUPAC Name1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cnc6n[nH]c(C(F)(F)F)c6c5)cc34)n2)CC1
InChIInChI=1S/C23H20F3N9/c24-23(25,26)21-16-8-13(9-29-22(16)34-33-21)12-1-2-17-15(7-12)20(32-31-17)18-10-28-11-19(30-18)35-5-3-14(27)4-6-35/h1-2,7-11,14H,3-6,27H2,(H,31,32)(H,29,33,34)
InChIKeyGSAKXWZCIGDYLM-UHFFFAOYSA-N
XLogP3.90
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959669
1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
CID 67959936
1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 123670336
3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide
CID 67959634
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine
CID 163547408
1-[6-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137145354
(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71253468
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137117012
1-[6-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136936799
1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136936951
[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 90400768

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (CID 67959941) is 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cnc6n[nH]c(C(F)(F)F)c6c5)cc34)n2)CC1.
What is the InChIKey of 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is GSAKXWZCIGDYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N9/c24-23(25,26)21-16-8-13(9-29-22(16)34-33-21)12-1-2-17-15(7-12)20(32-31-17)18-10-28-11-19(30-18)35-5-3-14(27)4-6-35/h1-2,7-11,14H,3-6,27H2,(H,31,32)(H,29,33,34).
What are the key properties of 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 479.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 67959941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).