dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane

C20H25N5O2S — CID 139486658

IUPACdimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
SMILESCc1cc2c(-c3cc(N4CCOCC4C)cc(N=S(C)(C)=O)n3)ccnc2[nH]1
InChIInChI=1S/C20H25N5O2S/c1-13-9-17-16(5-6-21-20(17)22-13)18-10-15(25-7-8-27-12-14(25)2)11-19(23-18)24-28(3,4)26/h5-6,9-11,14H,7-8,12H2,1-4H3,(H,21,22)
InChIKeyDFODRYMSRLDPGC-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.52
Rot. Bonds3

About dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane

dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane (PubChem CID 139486658) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
PubChem CID139486658
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Namedimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
SMILESCc1cc2c(-c3cc(N4CCOCC4C)cc(N=S(C)(C)=O)n3)ccnc2[nH]1
InChIInChI=1S/C20H25N5O2S/c1-13-9-17-16(5-6-21-20(17)22-13)18-10-15(25-7-8-27-12-14(25)2)11-19(23-18)24-28(3,4)26/h5-6,9-11,14H,7-8,12H2,1-4H3,(H,21,22)
InChIKeyDFODRYMSRLDPGC-UHFFFAOYSA-N
XLogP3.52
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane with MolForge

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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
[6-(2-ethyl-2H-pyrrol-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 153344412
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 137417745
dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 142518006
4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 139406117
4-[6-amino-4-(3-methylmorpholin-4-yl)-2-pyridinyl]pyridine-2,3-diamine
CID 139494287
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 137417888
[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 159221410
dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane
CID 176598541
[2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137405562
1-[4-[S-methyl-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]sulfonimidoyl]piperidin-1-yl]propan-1-one
CID 137417786

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane (CID 139486658) is dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane is Cc1cc2c(-c3cc(N4CCOCC4C)cc(N=S(C)(C)=O)n3)ccnc2[nH]1.
What is the InChIKey of dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
The InChIKey is DFODRYMSRLDPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-13-9-17-16(5-6-21-20(17)22-13)18-10-15(25-7-8-27-12-14(25)2)11-19(23-18)24-28(3,4)26/h5-6,9-11,14H,7-8,12H2,1-4H3,(H,21,22).
What are the key properties of dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane?
dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane has a molecular weight of 399.52 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane is sourced from PubChem (CID 139486658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).