6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile

C24H20N6O3S — CID 118671997

IUPAC6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile
SMILESCS(=O)c1cn(-c2ncc(-c3cccc(C#N)n3)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H20N6O3S/c1-34(32)22-15-30(24-26-13-17(14-27-24)20-4-2-3-18(12-25)28-20)21-11-16(5-6-19(21)22)23(31)29-7-9-33-10-8-29/h2-6,11,13-15H,7-10H2,1H3
InChIKeyGQJXSKPLHAEUSJ-UHFFFAOYSA-N
MW472.53 g/mol
LogP2.56
Rot. Bonds4

About 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile

6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile (PubChem CID 118671997) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile
PubChem CID118671997
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC Name6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile
SMILESCS(=O)c1cn(-c2ncc(-c3cccc(C#N)n3)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H20N6O3S/c1-34(32)22-15-30(24-26-13-17(14-27-24)20-4-2-3-18(12-25)28-20)21-11-16(5-6-19(21)22)23(31)29-7-9-33-10-8-29/h2-6,11,13-15H,7-10H2,1H3
InChIKeyGQJXSKPLHAEUSJ-UHFFFAOYSA-N
XLogP2.56
TPSA114.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile (CID 118671997) is 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile is CS(=O)c1cn(-c2ncc(-c3cccc(C#N)n3)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile?
The InChIKey is GQJXSKPLHAEUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-34(32)22-15-30(24-26-13-17(14-27-24)20-4-2-3-18(12-25)28-20)21-11-16(5-6-19(21)22)23(31)29-7-9-33-10-8-29/h2-6,11,13-15H,7-10H2,1H3.
What are the key properties of 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile?
6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile has a molecular weight of 472.53 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-methylsulfinyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118671997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).