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

C61H63Cl2N5O3P2PdS — CID 173214970

IUPACdichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
SMILESCC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CCNCC1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H33N5O3S.2C18H15P.2ClH.Pd/c1-17(2)34(31,32)25(8-11-26-12-9-25)22-15-23(30-13-14-33-16-18(30)3)29-24(28-22)20-5-4-6-21-19(20)7-10-27-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4-7,10,15,17-18,26-27H,8-9,11-14,16H2,1-3H3;2*1-15H;2*1H;/q;;;;;+2/p-2/t18-;;;;;/m1...../s1
InChIKeyCELWECUANSCYOZ-AJVOAMKVSA-L
MW1185.55 g/mol
LogP11.52
Rot. Bonds11

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

dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) (PubChem CID 173214970) has the molecular formula C61H63Cl2N5O3P2PdS and a molecular weight of 1185.55 g/mol. Its IUPAC name is dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
PubChem CID173214970
Molecular FormulaC61H63Cl2N5O3P2PdS
Molecular Weight1185.55 g/mol
Exact Mass1183.25
IUPAC Namedichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
SMILESCC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CCNCC1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H33N5O3S.2C18H15P.2ClH.Pd/c1-17(2)34(31,32)25(8-11-26-12-9-25)22-15-23(30-13-14-33-16-18(30)3)29-24(28-22)20-5-4-6-21-19(20)7-10-27-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4-7,10,15,17-18,26-27H,8-9,11-14,16H2,1-3H3;2*1-15H;2*1H;/q;;;;;+2/p-2/t18-;;;;;/m1...../s1
InChIKeyCELWECUANSCYOZ-AJVOAMKVSA-L
XLogP11.52
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.55
LogP ≤ 511.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)
CID 173214634
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
4-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 123793595
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
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
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
The IUPAC name of dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) (CID 173214970) is dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane).
What is the SMILES notation for dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
The canonical SMILES for dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) is CC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CCNCC1.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-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
The InChIKey is CELWECUANSCYOZ-AJVOAMKVSA-L. The full InChI is InChI=1S/C25H33N5O3S.2C18H15P.2ClH.Pd/c1-17(2)34(31,32)25(8-11-26-12-9-25)22-15-23(30-13-14-33-16-18(30)3)29-24(28-22)20-5-4-6-21-19(20)7-10-27-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4-7,10,15,17-18,26-27H,8-9,11-14,16H2,1-3H3;2*1-15H;2*1H;/q;;;;;+2/p-2/t18-;;;;;/m1...../s1.
What are the key properties of dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane)?
dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) has a molecular weight of 1185.55 g/mol, XLogP of 11.52, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;(3R)-4-[2-(1H-indol-4-yl)-6-(4-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;bis(triphenylphosphane) is sourced from PubChem (CID 173214970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).