dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane

C13H19N5O2S — CID 176598541

IUPACdimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)c2cn[nH]c2n1
InChIInChI=1S/C13H19N5O2S/c1-9-8-20-5-4-18(9)12-6-11(17-21(2,3)19)10-7-14-16-13(10)15-12/h6-7,9H,4-5,8H2,1-3H3,(H,14,15,16)/t9-/m1/s1
InChIKeyRHZJQUZGXWMWTO-SECBINFHSA-N
MW309.40 g/mol
LogP1.54
Rot. Bonds2

About dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane

dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane (PubChem CID 176598541) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane
PubChem CID176598541
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Namedimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)c2cn[nH]c2n1
InChIInChI=1S/C13H19N5O2S/c1-9-8-20-5-4-18(9)12-6-11(17-21(2,3)19)10-7-14-16-13(10)15-12/h6-7,9H,4-5,8H2,1-3H3,(H,14,15,16)/t9-/m1/s1
InChIKeyRHZJQUZGXWMWTO-SECBINFHSA-N
XLogP1.54
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 174205306
8-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313336
cyclopropyl-methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-λ6-sulfane
CID 175679888
methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-pyridin-4-yl-λ6-sulfane
CID 176598553
3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile
CID 167213113
[3-(difluoromethoxy)-6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 176598529
(4-bromophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
CID 118890848
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 142518006
diethyl-[[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
CID 130245982
methyl 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[4,5-b]pyridine-7-carboxylate
CID 151820966
3-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-1-yl]prop-2-en-1-imine
CID 176598557

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane (CID 176598541) is dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane is C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)c2cn[nH]c2n1.
What is the InChIKey of dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane?
The InChIKey is RHZJQUZGXWMWTO-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-8-20-5-4-18(9)12-6-11(17-21(2,3)19)10-7-14-16-13(10)15-12/h6-7,9H,4-5,8H2,1-3H3,(H,14,15,16)/t9-/m1/s1.
What are the key properties of dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane?
dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane has a molecular weight of 309.40 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane is sourced from PubChem (CID 176598541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).