dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane

C19H24N6O2S — CID 137417797

IUPACdimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESCc1nn2ccccc2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C19H24N6O2S/c1-13-12-27-10-9-24(13)17-11-16(23-28(3,4)26)20-19(21-17)18-14(2)22-25-8-6-5-7-15(18)25/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
InChIKeyOHSLJGNSGDCMHN-CYBMUJFWSA-N
MW400.51 g/mol
LogP2.68
Rot. Bonds3

About dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane

dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (PubChem CID 137417797) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
PubChem CID137417797
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Namedimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESCc1nn2ccccc2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C19H24N6O2S/c1-13-12-27-10-9-24(13)17-11-16(23-28(3,4)26)20-19(21-17)18-14(2)22-25-8-6-5-7-15(18)25/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
InChIKeyOHSLJGNSGDCMHN-CYBMUJFWSA-N
XLogP2.68
TPSA84.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (CID 137417797) is dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane is Cc1nn2ccccc2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.
What is the InChIKey of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The InChIKey is OHSLJGNSGDCMHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-13-12-27-10-9-24(13)17-11-16(23-28(3,4)26)20-19(21-17)18-14(2)22-25-8-6-5-7-15(18)25/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1.
What are the key properties of dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane has a molecular weight of 400.51 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 137417797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).