4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine

C26H21ClN4O3S — CID 46186690

IUPAC4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(N4CCOCC4)cn3)cc2c2cc(Cl)cnc21
InChIInChI=1S/C26H21ClN4O3S/c27-19-15-23-22-14-18(24-8-7-20(17-28-24)30-10-12-34-13-11-30)6-9-25(22)31(26(23)29-16-19)35(32,33)21-4-2-1-3-5-21/h1-9,14-17H,10-13H2
InChIKeyYBWAPLIZSKBNSX-UHFFFAOYSA-N
MW505.00 g/mol
LogP4.98
Rot. Bonds4

About 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine

4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine (PubChem CID 46186690) has the molecular formula C26H21ClN4O3S and a molecular weight of 505.00 g/mol. Its IUPAC name is 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine
PubChem CID46186690
Molecular FormulaC26H21ClN4O3S
Molecular Weight505.00 g/mol
Exact Mass504.10
IUPAC Name4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(N4CCOCC4)cn3)cc2c2cc(Cl)cnc21
InChIInChI=1S/C26H21ClN4O3S/c27-19-15-23-22-14-18(24-8-7-20(17-28-24)30-10-12-34-13-11-30)6-9-25(22)31(26(23)29-16-19)35(32,33)21-4-2-1-3-5-21/h1-9,14-17H,10-13H2
InChIKeyYBWAPLIZSKBNSX-UHFFFAOYSA-N
XLogP4.98
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.00
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine (CID 46186690) is 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine is O=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(N4CCOCC4)cn3)cc2c2cc(Cl)cnc21.
What is the InChIKey of 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine?
The InChIKey is YBWAPLIZSKBNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3S/c27-19-15-23-22-14-18(24-8-7-20(17-28-24)30-10-12-34-13-11-30)6-9-25(22)31(26(23)29-16-19)35(32,33)21-4-2-1-3-5-21/h1-9,14-17H,10-13H2.
What are the key properties of 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine?
4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine has a molecular weight of 505.00 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine is sourced from PubChem (CID 46186690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).