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

C18H23F3N6 — CID 159223444

IUPACmolecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCC2CCCCN2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H]
InChIInChI=1S/C18H19F3N6.2H2/c19-18(20,21)13-6-7-14(24-10-11-4-1-2-8-22-11)25-16(13)15-12-5-3-9-23-17(12)27-26-15;;/h3,5-7,9,11,22H,1-2,4,8,10H2,(H,24,25)(H,23,26,27);2*1H
InChIKeyKRZHFRXYLIMWHY-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.08
Rot. Bonds4

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

molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 159223444) has the molecular formula C18H23F3N6 and a molecular weight of 380.42 g/mol. Its IUPAC name is molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID159223444
Molecular FormulaC18H23F3N6
Molecular Weight380.42 g/mol
Exact Mass380.19
IUPAC Namemolecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCC2CCCCN2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H]
InChIInChI=1S/C18H19F3N6.2H2/c19-18(20,21)13-6-7-14(24-10-11-4-1-2-8-22-11)25-16(13)15-12-5-3-9-23-17(12)27-26-15;;/h3,5-7,9,11,22H,1-2,4,8,10H2,(H,24,25)(H,23,26,27);2*1H
InChIKeyKRZHFRXYLIMWHY-UHFFFAOYSA-N
XLogP4.08
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine
CID 159524618
3-[6-[[(2S)-pyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 90180876
molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 161147695
N-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 44624733
[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen
CID 158029333
3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 44624517
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
molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 159854575
3-[6-(3-methylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 77384229
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
1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 67949978
[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 67949840

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 159223444) is molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCC2CCCCN2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KRZHFRXYLIMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6.2H2/c19-18(20,21)13-6-7-14(24-10-11-4-1-2-8-22-11)25-16(13)15-12-5-3-9-23-17(12)27-26-15;;/h3,5-7,9,11,22H,1-2,4,8,10H2,(H,24,25)(H,23,26,27);2*1H.
What are the key properties of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 380.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159223444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).