4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine

C23H21ClN4OS — CID 146469069

IUPAC4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine
SMILESCOc1cncc(-c2cc3cc(-c4ccc(N5CCSCC5)nc4)[nH]c3cc2Cl)c1
InChIInChI=1S/C23H21ClN4OS/c1-29-18-8-17(12-25-14-18)19-9-16-10-21(27-22(16)11-20(19)24)15-2-3-23(26-13-15)28-4-6-30-7-5-28/h2-3,8-14,27H,4-7H2,1H3
InChIKeyZFABXWBCFPPYLY-UHFFFAOYSA-N
MW436.97 g/mol
LogP5.51
Rot. Bonds4

About 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine

4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine (PubChem CID 146469069) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine.

Molecular Properties

Compound Name4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine
PubChem CID146469069
Molecular FormulaC23H21ClN4OS
Molecular Weight436.97 g/mol
Exact Mass436.11
IUPAC Name4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine
SMILESCOc1cncc(-c2cc3cc(-c4ccc(N5CCSCC5)nc4)[nH]c3cc2Cl)c1
InChIInChI=1S/C23H21ClN4OS/c1-29-18-8-17(12-25-14-18)19-9-16-10-21(27-22(16)11-20(19)24)15-2-3-23(26-13-15)28-4-6-30-7-5-28/h2-3,8-14,27H,4-7H2,1H3
InChIKeyZFABXWBCFPPYLY-UHFFFAOYSA-N
XLogP5.51
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.97
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine with MolForge

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Related Compounds

1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane
CID 146451986
3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]
CID 146451983
4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1-(cyclopropylmethyl)pyridin-2-one
CID 146451886
5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176925759
4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine
CID 146451991
2-[1-[5-(5-methoxy-1H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 146171993
2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole
CID 146451953
5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
CID 146451999
6-fluoro-2-(6-piperidin-1-yl-3-pyridinyl)-1H-indole
CID 172593034
6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
CID 58203286
4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
CID 146451977
3-(5-methoxy-3-pyridinyl)-1-methyl-5-(4-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine
CID 123323852

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine?
The IUPAC name of 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine (CID 146469069) is 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine.
What is the SMILES notation for 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine?
The canonical SMILES for 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine is COc1cncc(-c2cc3cc(-c4ccc(N5CCSCC5)nc4)[nH]c3cc2Cl)c1.
What is the InChIKey of 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine?
The InChIKey is ZFABXWBCFPPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS/c1-29-18-8-17(12-25-14-18)19-9-16-10-21(27-22(16)11-20(19)24)15-2-3-23(26-13-15)28-4-6-30-7-5-28/h2-3,8-14,27H,4-7H2,1H3.
What are the key properties of 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine?
4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine has a molecular weight of 436.97 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 146469069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).