3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]

C24H21ClN4O2 — CID 146451983

IUPAC3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]
SMILESCOc1cncc(-c2cc3cc(-c4cnc5c(c4)COC54CN(C)C4)[nH]c3cc2Cl)c1
InChIInChI=1S/C24H21ClN4O2/c1-29-12-24(13-29)23-17(11-31-24)3-16(9-27-23)21-6-14-5-19(20(25)7-22(14)28-21)15-4-18(30-2)10-26-8-15/h3-10,28H,11-13H2,1-2H3
InChIKeyDZIWOSANVSSZME-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.62
Rot. Bonds3

About 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]

3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine] (PubChem CID 146451983) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine].

Molecular Properties

Compound Name3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]
PubChem CID146451983
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]
SMILESCOc1cncc(-c2cc3cc(-c4cnc5c(c4)COC54CN(C)C4)[nH]c3cc2Cl)c1
InChIInChI=1S/C24H21ClN4O2/c1-29-12-24(13-29)23-17(11-31-24)3-16(9-27-23)21-6-14-5-19(20(25)7-22(14)28-21)15-4-18(30-2)10-26-8-15/h3-10,28H,11-13H2,1-2H3
InChIKeyDZIWOSANVSSZME-UHFFFAOYSA-N
XLogP4.62
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine] with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine
CID 146469069
1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane
CID 146451986
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-(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
3-(5-methoxy-3-pyridinyl)-1-methyl-5-(4-methylpiperazin-1-yl)pyrrolo[3,2-b]pyridine
CID 123323852
2-chloro-5-(5-methoxy-3-pyridinyl)pyridin-4-amine;5-(5-methoxy-3-pyridinyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridin-4-amine
CID 157052711
4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
CID 146451977
6-(5-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidine-4-thione
CID 106520596
5-(5-methoxy-3-pyridinyl)-2-pyridin-2-yl-1H-indole
CID 146451960

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]?
The IUPAC name of 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) is 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine].
What is the SMILES notation for 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]?
The canonical SMILES for 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine] is COc1cncc(-c2cc3cc(-c4cnc5c(c4)COC54CN(C)C4)[nH]c3cc2Cl)c1.
What is the InChIKey of 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]?
The InChIKey is DZIWOSANVSSZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-29-12-24(13-29)23-17(11-31-24)3-16(9-27-23)21-6-14-5-19(20(25)7-22(14)28-21)15-4-18(30-2)10-26-8-15/h3-10,28H,11-13H2,1-2H3.
What are the key properties of 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]?
3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine] has a molecular weight of 432.91 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-1'-methylspiro[5H-furo[3,4-b]pyridine-7,3'-azetidine] is sourced from PubChem (CID 146451983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).