2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride

C20H20ClN3O — CID 132989623

IUPAC2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride
SMILESCOc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C.Cl
InChIInChI=1S/C20H19N3O.ClH/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;/h4-11,21,23H,1-3H3;1H/b18-17?,19-10-;
InChIKeyOENQCHPYHHSIQA-RKMKAUCSSA-N
MW353.85 g/mol
LogP1.44
Rot. Bonds2

About 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride

2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride (PubChem CID 132989623) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride.

Molecular Properties

Compound Name2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride
PubChem CID132989623
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride
SMILESCOc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C.Cl
InChIInChI=1S/C20H19N3O.ClH/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;/h4-11,21,23H,1-3H3;1H/b18-17?,19-10-;
InChIKeyOENQCHPYHHSIQA-RKMKAUCSSA-N
XLogP1.44
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 11404337
(2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 59791446
2-[5-[(4-iodo-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 66750908
(5Z)-2-bromo-5-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]thieno[2,3-b]pyrrole
CID 71549839
1-[5-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]thieno[3,2-b]pyrrol-2-yl]ethanol
CID 149435892
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol
CID 136503833
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]-5-fluoroindole
CID 66751012
(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole
CID 56945480
4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine
CID 66751215
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
CID 67521323
(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
CID 59791466
6-chloro-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indole;2-[(5E)-5-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-4-methoxypyrrol-2-ylidene]indole;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]-6-fluoroindole
CID 159432451

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride?
The IUPAC name of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride (CID 132989623) is 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride.
What is the SMILES notation for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride?
The canonical SMILES for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride is COc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C.Cl.
What is the InChIKey of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride?
The InChIKey is OENQCHPYHHSIQA-RKMKAUCSSA-N. The full InChI is InChI=1S/C20H19N3O.ClH/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;/h4-11,21,23H,1-3H3;1H/b18-17?,19-10-;.
What are the key properties of 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride?
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride is sourced from PubChem (CID 132989623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).