dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane

C49H67N17O6S3 — CID 167677868

IUPACdimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cccn2C)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn[nH]2)n1.Cc1nc2ccccn2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C19H24N6O2S.C16H23N5O2S.C14H20N6O2S/c1-13-12-27-10-9-24(13)17-11-15(23-28(3,4)26)21-19(22-17)18-14(2)20-16-7-5-6-8-25(16)18;1-12-11-23-9-8-21(12)15-10-14(19-24(3,4)22)17-16(18-15)13-6-5-7-20(13)2;1-10-9-22-7-6-20(10)13-8-12(19-23(2,3)21)16-14(17-13)11-4-5-15-18-11/h5-8,11,13H,9-10,12H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;4-5,8,10H,6-7,9H2,1-3H3,(H,15,18)/t13-;12-;10-/m111/s1
InChIKeyVBUIJQHHVJNOBR-GJQWJHMJSA-N
MW1086.39 g/mol
LogP6.20
Rot. Bonds9

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

dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (PubChem CID 167677868) has the molecular formula C49H67N17O6S3 and a molecular weight of 1086.39 g/mol. Its IUPAC name is dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
PubChem CID167677868
Molecular FormulaC49H67N17O6S3
Molecular Weight1086.39 g/mol
Exact Mass1085.46
IUPAC Namedimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cccn2C)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn[nH]2)n1.Cc1nc2ccccn2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C19H24N6O2S.C16H23N5O2S.C14H20N6O2S/c1-13-12-27-10-9-24(13)17-11-15(23-28(3,4)26)21-19(22-17)18-14(2)20-16-7-5-6-8-25(16)18;1-12-11-23-9-8-21(12)15-10-14(19-24(3,4)22)17-16(18-15)13-6-5-7-20(13)2;1-10-9-22-7-6-20(10)13-8-12(19-23(2,3)21)16-14(17-13)11-4-5-15-18-11/h5-8,11,13H,9-10,12H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;4-5,8,10H,6-7,9H2,1-3H3,(H,15,18)/t13-;12-;10-/m111/s1
InChIKeyVBUIJQHHVJNOBR-GJQWJHMJSA-N
XLogP6.20
TPSA253.95 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.39
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane with MolForge

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Launch Full Analysis

Related Compounds

3-[2-methyl-6-[(6-morpholin-4-ylpyridazin-3-yl)amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 49835227
6-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 56658840
US9266891, III-41
CID 76070734
US9266891, III-24
CID 76072257
US9266891, III-27
CID 76072260
US9266891, III-29
CID 76072370
US9266891, III-30
CID 76072371
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)-6-[6-morpholin-4-yl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067813
(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine
CID 168429815
(3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 168678889
(3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 168678890
2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 156692591

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane (CID 167677868) is dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane is C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cccn2C)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccn[nH]2)n1.Cc1nc2ccccn2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.
What is the InChIKey of dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The InChIKey is VBUIJQHHVJNOBR-GJQWJHMJSA-N. The full InChI is InChI=1S/C19H24N6O2S.C16H23N5O2S.C14H20N6O2S/c1-13-12-27-10-9-24(13)17-11-15(23-28(3,4)26)21-19(22-17)18-14(2)20-16-7-5-6-8-25(16)18;1-12-11-23-9-8-21(12)15-10-14(19-24(3,4)22)17-16(18-15)13-6-5-7-20(13)2;1-10-9-22-7-6-20(10)13-8-12(19-23(2,3)21)16-14(17-13)11-4-5-15-18-11/h5-8,11,13H,9-10,12H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;4-5,8,10H,6-7,9H2,1-3H3,(H,15,18)/t13-;12-;10-/m111/s1.
What are the key properties of dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane?
dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane has a molecular weight of 1086.39 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 167677868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).