[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen

C19H22F3N5 — CID 158029333

IUPAC[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen
SMILESCC1CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1CN.[H][H]
InChIInChI=1S/C19H20F3N5.H2/c1-10-7-11(8-12(10)9-23)15-5-4-14(19(20,21)22)17(25-15)16-13-3-2-6-24-18(13)27-26-16;/h2-6,10-12H,7-9,23H2,1H3,(H,24,26,27);1H
InChIKeyFGZKVNVPWSFSLN-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.37
Rot. Bonds3

About [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen

[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen (PubChem CID 158029333) has the molecular formula C19H22F3N5 and a molecular weight of 377.41 g/mol. Its IUPAC name is [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen.

Molecular Properties

Compound Name[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen
PubChem CID158029333
Molecular FormulaC19H22F3N5
Molecular Weight377.41 g/mol
Exact Mass377.18
IUPAC Name[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen
SMILESCC1CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1CN.[H][H]
InChIInChI=1S/C19H20F3N5.H2/c1-10-7-11(8-12(10)9-23)15-5-4-14(19(20,21)22)17(25-15)16-13-3-2-6-24-18(13)27-26-16;/h2-6,10-12H,7-9,23H2,1H3,(H,24,26,27);1H
InChIKeyFGZKVNVPWSFSLN-UHFFFAOYSA-N
XLogP4.37
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

molecular hydrogen;trans-(1S,2R)-2-propyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentan-1-amine
CID 160716728
molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 159854575
molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 159223444
3-[6-(3-methylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 77384229
[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]methanamine;molecular hydrogen;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine;2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine
CID 161498589
3-[6-[[(2S)-pyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 90180876
(3R,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 118527206
2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 44624808
4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 70929989
2-[2-hydroxyethyl-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 44624811
5-(1,1-difluoroethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;molecular hydrogen
CID 158707871
3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 44624517

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen?
The IUPAC name of [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen (CID 158029333) is [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen.
What is the SMILES notation for [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen?
The canonical SMILES for [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen is CC1CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1CN.[H][H].
What is the InChIKey of [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen?
The InChIKey is FGZKVNVPWSFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5.H2/c1-10-7-11(8-12(10)9-23)15-5-4-14(19(20,21)22)17(25-15)16-13-3-2-6-24-18(13)27-26-16;/h2-6,10-12H,7-9,23H2,1H3,(H,24,26,27);1H.
What are the key properties of [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen?
[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen has a molecular weight of 377.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen is sourced from PubChem (CID 158029333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).