[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone

C25H26N6O3S — CID 118666107

IUPAC[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccnc(-c2cnc(-n3cc(S(C)=O)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C25H26N6O3S/c1-29(2)19-6-7-26-21(13-19)18-14-27-25(28-15-18)31-16-23(35(3)33)20-5-4-17(12-22(20)31)24(32)30-8-10-34-11-9-30/h4-7,12-16H,8-11H2,1-3H3
InChIKeyMHLZPEVKKUAKLA-UHFFFAOYSA-N
MW490.59 g/mol
LogP2.76
Rot. Bonds5

About [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone

[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118666107) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
PubChem CID118666107
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccnc(-c2cnc(-n3cc(S(C)=O)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C25H26N6O3S/c1-29(2)19-6-7-26-21(13-19)18-14-27-25(28-15-18)31-16-23(35(3)33)20-5-4-17(12-22(20)31)24(32)30-8-10-34-11-9-30/h4-7,12-16H,8-11H2,1-3H3
InChIKeyMHLZPEVKKUAKLA-UHFFFAOYSA-N
XLogP2.76
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone (CID 118666107) is [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone is CN(C)c1ccnc(-c2cnc(-n3cc(S(C)=O)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is MHLZPEVKKUAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-29(2)19-6-7-26-21(13-19)18-14-27-25(28-15-18)31-16-23(35(3)33)20-5-4-17(12-22(20)31)24(32)30-8-10-34-11-9-30/h4-7,12-16H,8-11H2,1-3H3.
What are the key properties of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone?
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 490.59 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118666107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).