4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine

C17H20N6OS — CID 156754152

IUPAC4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
SMILESCSC1(c2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)CC1
InChIInChI=1S/C17H20N6OS/c1-25-17(3-4-17)13-10-15(22-6-8-24-9-7-22)20-16-12(13)11-19-23(16)14-2-5-18-21-14/h2,5,10-11H,3-4,6-9H2,1H3,(H,18,21)
InChIKeyTVTRGYGSQNOJTG-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.33
Rot. Bonds4

About 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine

4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine (PubChem CID 156754152) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
PubChem CID156754152
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
SMILESCSC1(c2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)CC1
InChIInChI=1S/C17H20N6OS/c1-25-17(3-4-17)13-10-15(22-6-8-24-9-7-22)20-16-12(13)11-19-23(16)14-2-5-18-21-14/h2,5,10-11H,3-4,6-9H2,1H3,(H,18,21)
InChIKeyTVTRGYGSQNOJTG-UHFFFAOYSA-N
XLogP2.33
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine with MolForge

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Related Compounds

1-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 156754163
4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 155585704
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
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
2-[5-hydroxy-2-methyl-5-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexyl]acetonitrile
CID 166092115
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
N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 155585654
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
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
ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine
CID 176966435
cyclohexyl(difluoro)methanamine;methanamine;4-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 155585703
(3R)-4-[4-(3-isocyano-3-methylbut-1-ynyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
CID 176647491

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine (CID 156754152) is 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine is CSC1(c2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)CC1.
What is the InChIKey of 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
The InChIKey is TVTRGYGSQNOJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-25-17(3-4-17)13-10-15(22-6-8-24-9-7-22)20-16-12(13)11-19-23(16)14-2-5-18-21-14/h2,5,10-11H,3-4,6-9H2,1H3,(H,18,21).
What are the key properties of 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine?
4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine has a molecular weight of 356.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 156754152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).