4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine

C23H26N4O2S — CID 69171863

IUPAC4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine
SMILESCN1CC=C(c2cn(S(=O)c3ccc(N4CCOCC4)cc3)c3ncccc23)CC1
InChIInChI=1S/C23H26N4O2S/c1-25-11-8-18(9-12-25)22-17-27(23-21(22)3-2-10-24-23)30(28)20-6-4-19(5-7-20)26-13-15-29-16-14-26/h2-8,10,17H,9,11-16H2,1H3
InChIKeySENDIUSNHAFLQC-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.16
Rot. Bonds4

About 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine

4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine (PubChem CID 69171863) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine
PubChem CID69171863
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine
SMILESCN1CC=C(c2cn(S(=O)c3ccc(N4CCOCC4)cc3)c3ncccc23)CC1
InChIInChI=1S/C23H26N4O2S/c1-25-11-8-18(9-12-25)22-17-27(23-21(22)3-2-10-24-23)30(28)20-6-4-19(5-7-20)26-13-15-29-16-14-26/h2-8,10,17H,9,11-16H2,1H3
InChIKeySENDIUSNHAFLQC-UHFFFAOYSA-N
XLogP3.16
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine?
The IUPAC name of 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine (CID 69171863) is 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine.
What is the SMILES notation for 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine?
The canonical SMILES for 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine is CN1CC=C(c2cn(S(=O)c3ccc(N4CCOCC4)cc3)c3ncccc23)CC1.
What is the InChIKey of 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine?
The InChIKey is SENDIUSNHAFLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-25-11-8-18(9-12-25)22-17-27(23-21(22)3-2-10-24-23)30(28)20-6-4-19(5-7-20)26-13-15-29-16-14-26/h2-8,10,17H,9,11-16H2,1H3.
What are the key properties of 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine?
4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine has a molecular weight of 422.55 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine is sourced from PubChem (CID 69171863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).