2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol

C22H23N3O2 — CID 136503833

IUPAC2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol
SMILESCc1cc(C)c(C=c2[nH]c(=C3C=c4ccc(O)cc4=N3)cc2OC(C)C)[nH]1
InChIInChI=1S/C22H23N3O2/c1-12(2)27-22-11-20(19-8-15-5-6-16(26)9-18(15)24-19)25-21(22)10-17-13(3)7-14(4)23-17/h5-12,23,25-26H,1-4H3
InChIKeyJCEJYAMAHYACRK-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.50
Rot. Bonds3

About 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol

2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol (PubChem CID 136503833) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol.

Molecular Properties

Compound Name2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol
PubChem CID136503833
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol
SMILESCc1cc(C)c(C=c2[nH]c(=C3C=c4ccc(O)cc4=N3)cc2OC(C)C)[nH]1
InChIInChI=1S/C22H23N3O2/c1-12(2)27-22-11-20(19-8-15-5-6-16(26)9-18(15)24-19)25-21(22)10-17-13(3)7-14(4)23-17/h5-12,23,25-26H,1-4H3
InChIKeyJCEJYAMAHYACRK-UHFFFAOYSA-N
XLogP1.50
TPSA73.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]-5-fluoroindole
CID 66751012
(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 11404337
2-[5-[(4-iodo-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 66750908
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol
CID 158805742
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-hydroxy-1H-indol-2-one
CID 16725932
(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole
CID 56945480
4-amino-3-propan-2-yloxyphenol
CID 69025591
4-(chloroamino)-3-propan-2-yloxyphenol
CID 139405527
ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
CID 144894366
6-fluoro-5-propan-2-yloxypyridin-3-ol
CID 74788690
[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 71003685
(4Z)-2-(4-methylphenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19662111

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol?
The IUPAC name of 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol (CID 136503833) is 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol.
What is the SMILES notation for 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol?
The canonical SMILES for 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol is Cc1cc(C)c(C=c2[nH]c(=C3C=c4ccc(O)cc4=N3)cc2OC(C)C)[nH]1.
What is the InChIKey of 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol?
The InChIKey is JCEJYAMAHYACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-12(2)27-22-11-20(19-8-15-5-6-16(26)9-18(15)24-19)25-21(22)10-17-13(3)7-14(4)23-17/h5-12,23,25-26H,1-4H3.
What are the key properties of 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol?
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol has a molecular weight of 361.45 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol is sourced from PubChem (CID 136503833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).