dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)

C59H58Cl2N4O3P2PdS — CID 173214634

IUPACdichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
SMILESCC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CC1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H28N4O3S.2C18H15P.2ClH.Pd/c1-15(2)31(28,29)23(8-9-23)20-13-21(27-11-12-30-14-16(27)3)26-22(25-20)18-5-4-6-19-17(18)7-10-24-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4-7,10,13,15-16,24H,8-9,11-12,14H2,1-3H3;2*1-15H;2*1H;/q;;;;;+2/p-2/t16-;;;;;/m1...../s1
InChIKeyFMTHZKCDTGWWCS-NSQCPRBHSA-L
MW1142.48 g/mol
LogP11.93
Rot. Bonds11

About dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)

dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) (PubChem CID 173214634) has the molecular formula C59H58Cl2N4O3P2PdS and a molecular weight of 1142.48 g/mol. Its IUPAC name is dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
PubChem CID173214634
Molecular FormulaC59H58Cl2N4O3P2PdS
Molecular Weight1142.48 g/mol
Exact Mass1140.21
IUPAC Namedichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
SMILESCC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CC1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H28N4O3S.2C18H15P.2ClH.Pd/c1-15(2)31(28,29)23(8-9-23)20-13-21(27-11-12-30-14-16(27)3)26-22(25-20)18-5-4-6-19-17(18)7-10-24-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4-7,10,13,15-16,24H,8-9,11-12,14H2,1-3H3;2*1-15H;2*1H;/q;;;;;+2/p-2/t16-;;;;;/m1...../s1
InChIKeyFMTHZKCDTGWWCS-NSQCPRBHSA-L
XLogP11.93
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.48
LogP ≤ 511.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) 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

dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
CID 173214970
4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
CID 75184871
imino-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxan-4-yl]-methyl-oxo-λ6-sulfane
CID 54762020
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
imino-methyl-[1-[6-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 119081226
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 154961493
4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406033
2-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
CID 177380499
(3R)-4-[6-(1H-indol-4-yl)-1-(1-methylsulfonylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269527
(3R)-4-[6-chloro-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 167581075

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
The IUPAC name of dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) (CID 173214634) is dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane).
What is the SMILES notation for dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
The canonical SMILES for dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) is CC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CC1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
The InChIKey is FMTHZKCDTGWWCS-NSQCPRBHSA-L. The full InChI is InChI=1S/C23H28N4O3S.2C18H15P.2ClH.Pd/c1-15(2)31(28,29)23(8-9-23)20-13-21(27-11-12-30-14-16(27)3)26-22(25-20)18-5-4-6-19-17(18)7-10-24-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4-7,10,13,15-16,24H,8-9,11-12,14H2,1-3H3;2*1-15H;2*1H;/q;;;;;+2/p-2/t16-;;;;;/m1...../s1.
What are the key properties of dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) has a molecular weight of 1142.48 g/mol, XLogP of 11.93, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) is sourced from PubChem (CID 173214634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).