6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole

C25H22F2N2 — CID 164984487

IUPAC6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole
SMILESCc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1c(F)ccc2c1C=CC2
InChIInChI=1S/C25H22F2N2/c1-13(2)22-23(24-17-6-4-5-15(17)7-8-20(24)27)14(3)29-25(22)19-11-16(26)12-21-18(19)9-10-28-21/h4,6-13,28-29H,5H2,1-3H3
InChIKeyZWKFIWHZDOFCKB-UHFFFAOYSA-N
MW388.46 g/mol
LogP7.11
Rot. Bonds3

About 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole

6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole (PubChem CID 164984487) has the molecular formula C25H22F2N2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole
PubChem CID164984487
Molecular FormulaC25H22F2N2
Molecular Weight388.46 g/mol
Exact Mass388.18
IUPAC Name6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole
SMILESCc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1c(F)ccc2c1C=CC2
InChIInChI=1S/C25H22F2N2/c1-13(2)22-23(24-17-6-4-5-15(17)7-8-20(24)27)14(3)29-25(22)19-11-16(26)12-21-18(19)9-10-28-21/h4,6-13,28-29H,5H2,1-3H3
InChIKeyZWKFIWHZDOFCKB-UHFFFAOYSA-N
XLogP7.11
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

5-(6-fluoro-1H-indol-4-yl)-3-(5-methoxy-1H-inden-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 162265961
4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164947030
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(trifluoromethyl)-7H-cyclopenta[b]pyridin-4-yl]-1H-pyrrole-2-carboxylic acid
CID 158051767
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid
CID 164951169
5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350221
2-[5-(6-fluoro-1H-indol-4-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]acetic acid
CID 146350375
3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350102
5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350378
3-(2-carbamoyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350437
3-(6-cyclopentyloxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350098
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-(2-sulfamoyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 146350258
5-(6-fluoro-1H-indol-4-yl)-3-(2-formyloxy-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 153319416

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole?
The IUPAC name of 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole (CID 164984487) is 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole?
The canonical SMILES for 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole is Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1c(F)ccc2c1C=CC2.
What is the InChIKey of 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole?
The InChIKey is ZWKFIWHZDOFCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2/c1-13(2)22-23(24-17-6-4-5-15(17)7-8-20(24)27)14(3)29-25(22)19-11-16(26)12-21-18(19)9-10-28-21/h4,6-13,28-29H,5H2,1-3H3.
What are the key properties of 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole?
6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole has a molecular weight of 388.46 g/mol, XLogP of 7.11, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(5-fluoro-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-1H-indole is sourced from PubChem (CID 164984487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).