cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine

C21H32F2N8O — CID 155585703

IUPACcyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
SMILESCN.NC(F)(F)C1CCCCC1.c1cc(-n2ncc3ccc(N4CCOCC4)nc32)[nH]n1
InChIInChI=1S/C13H14N6O.C7H13F2N.CH5N/c1-2-11(18-5-7-20-8-6-18)16-13-10(1)9-15-19(13)12-3-4-14-17-12;8-7(9,10)6-4-2-1-3-5-6;1-2/h1-4,9H,5-8H2,(H,14,17);6H,1-5,10H2;2H2,1H3
InChIKeyHIXPQLCEMCZROD-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.67
Rot. Bonds3

About cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine

cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine (PubChem CID 155585703) has the molecular formula C21H32F2N8O and a molecular weight of 450.54 g/mol. Its IUPAC name is cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Namecyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
PubChem CID155585703
Molecular FormulaC21H32F2N8O
Molecular Weight450.54 g/mol
Exact Mass450.27
IUPAC Namecyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
SMILESCN.NC(F)(F)C1CCCCC1.c1cc(-n2ncc3ccc(N4CCOCC4)nc32)[nH]n1
InChIInChI=1S/C13H14N6O.C7H13F2N.CH5N/c1-2-11(18-5-7-20-8-6-18)16-13-10(1)9-15-19(13)12-3-4-14-17-12;8-7(9,10)6-4-2-1-3-5-6;1-2/h1-4,9H,5-8H2,(H,14,17);6H,1-5,10H2;2H2,1H3
InChIKeyHIXPQLCEMCZROD-UHFFFAOYSA-N
XLogP2.67
TPSA123.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 155585704
3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 167442741
1-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 156754163
4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 156754152
ethene;N-[2-[6-(1,4-oxazepan-4-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]sulfanylcyclopropanamine
CID 155585725
ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol
CID 177242887
methanamine;(3Z)-6-methyl-5-(trifluoromethyl)hepta-1,3,5-triene;4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]heptan-4-ol
CID 155585631
4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015942
4-(1H-pyrazol-5-yl)-1,4-oxazepane
CID 126655328
2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile
CID 166726969
N,N-dimethyl-6-morpholin-4-yl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015809
8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313312

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The IUPAC name of cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine (CID 155585703) is cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine.
What is the SMILES notation for cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The canonical SMILES for cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine is CN.NC(F)(F)C1CCCCC1.c1cc(-n2ncc3ccc(N4CCOCC4)nc32)[nH]n1.
What is the InChIKey of cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The InChIKey is HIXPQLCEMCZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O.C7H13F2N.CH5N/c1-2-11(18-5-7-20-8-6-18)16-13-10(1)9-15-19(13)12-3-4-14-17-12;8-7(9,10)6-4-2-1-3-5-6;1-2/h1-4,9H,5-8H2,(H,14,17);6H,1-5,10H2;2H2,1H3.
What are the key properties of cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine has a molecular weight of 450.54 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 155585703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).