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

C89H91ClFN13O6 — CID 159432451

IUPAC6-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
SMILESCOc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C(\C)c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2C(=O)NCCCO)[nH]/c1=C\c1[nH]c(C)cc1C.Cc1cc(C)c(/C=c2\[nH]c(=C3C=c4ccc(Cl)cc4=N3)cc2OC(C)C)[nH]1.Cc1cc(C)c(/C=c2\[nH]c(=C3C=c4ccc(F)cc4=N3)cc2OC(C)C)[nH]1
InChIInChI=1S/C24H26N4O3.C22H22ClN3O.C22H22FN3O.C21H21N3O/c1-14-11-15(2)26-18(14)12-19-21(31-3)13-20(27-19)23-22(24(30)25-9-6-10-29)16-7-4-5-8-17(16)28-23;2*1-12(2)27-22-11-20(19-8-15-5-6-16(23)9-18(15)25-19)26-21(22)10-17-13(3)7-14(4)24-17;1-12-9-13(2)22-20(12)14(3)21-19(25-4)11-18(24-21)17-10-15-7-5-6-8-16(15)23-17/h4-5,7-8,11-13,26-27,29H,6,9-10H2,1-3H3,(H,25,30);2*5-12,24,26H,1-4H3;5-11,22,24H,1-4H3/b19-12-,23-20?;2*20-19?,21-10-;18-17?,21-14+
InChIKeyAWSXKSYZZUONTI-XMRKNGFVSA-N
MW1493.24 g/mol
LogP5.69
Rot. Bonds14

About 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

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 (PubChem CID 159432451) has the molecular formula C89H91ClFN13O6 and a molecular weight of 1493.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159432451
Molecular FormulaC89H91ClFN13O6
Molecular Weight1493.24 g/mol
Exact Mass1491.69
IUPAC Name6-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
SMILESCOc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C(\C)c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2C(=O)NCCCO)[nH]/c1=C\c1[nH]c(C)cc1C.Cc1cc(C)c(/C=c2\[nH]c(=C3C=c4ccc(Cl)cc4=N3)cc2OC(C)C)[nH]1.Cc1cc(C)c(/C=c2\[nH]c(=C3C=c4ccc(F)cc4=N3)cc2OC(C)C)[nH]1
InChIInChI=1S/C24H26N4O3.C22H22ClN3O.C22H22FN3O.C21H21N3O/c1-14-11-15(2)26-18(14)12-19-21(31-3)13-20(27-19)23-22(24(30)25-9-6-10-29)16-7-4-5-8-17(16)28-23;2*1-12(2)27-22-11-20(19-8-15-5-6-16(23)9-18(15)25-19)26-21(22)10-17-13(3)7-14(4)24-17;1-12-9-13(2)22-20(12)14(3)21-19(25-4)11-18(24-21)17-10-15-7-5-6-8-16(15)23-17/h4-5,7-8,11-13,26-27,29H,6,9-10H2,1-3H3,(H,25,30);2*5-12,24,26H,1-4H3;5-11,22,24H,1-4H3/b19-12-,23-20?;2*20-19?,21-10-;18-17?,21-14+
InChIKeyAWSXKSYZZUONTI-XMRKNGFVSA-N
XLogP5.69
TPSA262.01 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001493.24
LogP ≤ 55.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
CID 59791466
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
CID 67521323
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
4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine
CID 66751215
(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole
CID 56945480
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
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1-[5-chloro-3-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90235723
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
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CID 107318363

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(=C2C=c3ccccc3=N2)[nH]/c1=C(\C)c1[nH]c(C)cc1C.COc1cc(=C2N=c3ccccc3=C2C(=O)NCCCO)[nH]/c1=C\c1[nH]c(C)cc1C.Cc1cc(C)c(/C=c2\[nH]c(=C3C=c4ccc(Cl)cc4=N3)cc2OC(C)C)[nH]1.Cc1cc(C)c(/C=c2\[nH]c(=C3C=c4ccc(F)cc4=N3)cc2OC(C)C)[nH]1.
What is the InChIKey of 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?
The InChIKey is AWSXKSYZZUONTI-XMRKNGFVSA-N. The full InChI is InChI=1S/C24H26N4O3.C22H22ClN3O.C22H22FN3O.C21H21N3O/c1-14-11-15(2)26-18(14)12-19-21(31-3)13-20(27-19)23-22(24(30)25-9-6-10-29)16-7-4-5-8-17(16)28-23;2*1-12(2)27-22-11-20(19-8-15-5-6-16(23)9-18(15)25-19)26-21(22)10-17-13(3)7-14(4)24-17;1-12-9-13(2)22-20(12)14(3)21-19(25-4)11-18(24-21)17-10-15-7-5-6-8-16(15)23-17/h4-5,7-8,11-13,26-27,29H,6,9-10H2,1-3H3,(H,25,30);2*5-12,24,26H,1-4H3;5-11,22,24H,1-4H3/b19-12-,23-20?;2*20-19?,21-10-;18-17?,21-14+.
What are the key properties of 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?
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 has a molecular weight of 1493.24 g/mol, XLogP of 5.69, 14 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159432451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).