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

C19H24N6O2S — CID 142518017

IUPACdimethyl-[6-(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(N2CCOCC2C)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
InChIKeyOHSLJGNSGDCMHN-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.68
Rot. Bonds3

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

dimethyl-[6-(3-methylmorpholin-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (PubChem CID 142518017) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is dimethyl-[6-(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-(3-methylmorpholin-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
PubChem CID142518017
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Namedimethyl-[6-(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(N2CCOCC2C)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
InChIKeyOHSLJGNSGDCMHN-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Apy0201
CID 56927660
Jnj-42396302
CID 51352628
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
Pyrazolo pyrimidine, 5l
CID 44520816
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888560
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888595
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888597
5-[2-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-pyrazolo[1,5-a]pyrazin-6-yl]-pyrimidin-2-ylamine
CID 67294297

Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-(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-(3-methylmorpholin-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (CID 142518017) is dimethyl-[6-(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-(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-(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(N2CCOCC2C)n1.
What is the InChIKey of dimethyl-[6-(3-methylmorpholin-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The InChIKey is OHSLJGNSGDCMHN-UHFFFAOYSA-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.
What are the key properties of dimethyl-[6-(3-methylmorpholin-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
dimethyl-[6-(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-(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 142518017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).