4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole

C20H16ClN3O — CID 146451977

IUPAC4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccnc(C)c4)cc3c2Cl)c1
InChIInChI=1S/C20H16ClN3O/c1-12-7-13(5-6-23-12)19-9-17-18(24-19)4-3-16(20(17)21)14-8-15(25-2)11-22-10-14/h3-11,24H,1-2H3
InChIKeyHIJQEECLTFTWGE-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.26
Rot. Bonds3

About 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole

4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole (PubChem CID 146451977) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole.

Molecular Properties

Compound Name4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
PubChem CID146451977
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccnc(C)c4)cc3c2Cl)c1
InChIInChI=1S/C20H16ClN3O/c1-12-7-13(5-6-23-12)19-9-17-18(24-19)4-3-16(20(17)21)14-8-15(25-2)11-22-10-14/h3-11,24H,1-2H3
InChIKeyHIJQEECLTFTWGE-UHFFFAOYSA-N
XLogP5.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137280315
1-[4-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]-6-oxa-1-azaspiro[3.3]heptane
CID 146451986
5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137310956
4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine
CID 146451991
6-methoxy-9-(2-methyl-4-pyridinyl)-1H-diazonine
CID 123778324
4-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 104877368
5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
CID 146452003
4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine
CID 146469069
5-(5-methoxy-3-pyridinyl)-2-pyridin-2-yl-1H-indole
CID 146451960
2-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71448856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
The IUPAC name of 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole (CID 146451977) is 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole.
What is the SMILES notation for 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
The canonical SMILES for 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole is COc1cncc(-c2ccc3[nH]c(-c4ccnc(C)c4)cc3c2Cl)c1.
What is the InChIKey of 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
The InChIKey is HIJQEECLTFTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-12-7-13(5-6-23-12)19-9-17-18(24-19)4-3-16(20(17)21)14-8-15(25-2)11-22-10-14/h3-11,24H,1-2H3.
What are the key properties of 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole?
4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole has a molecular weight of 349.82 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-methoxy-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole is sourced from PubChem (CID 146451977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).