3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C26H21FN4O2 — CID 146350111

IUPAC3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c2cc[nH]c2cc2[nH]ccc12
InChIInChI=1S/C26H21FN4O2/c1-12(2)21-23(22-15-4-7-29-19(15)11-20-16(22)5-8-30-20)25(26(32)33)31-24(21)17-9-13(27)10-18-14(17)3-6-28-18/h3-12,28-31H,1-2H3,(H,32,33)
InChIKeyUXRXCQXHFONBFV-UHFFFAOYSA-N
MW440.48 g/mol
LogP6.75
Rot. Bonds4

About 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 146350111) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID146350111
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c2cc[nH]c2cc2[nH]ccc12
InChIInChI=1S/C26H21FN4O2/c1-12(2)21-23(22-15-4-7-29-19(15)11-20-16(22)5-8-30-20)25(26(32)33)31-24(21)17-9-13(27)10-18-14(17)3-6-28-18/h3-12,28-31H,1-2H3,(H,32,33)
InChIKeyUXRXCQXHFONBFV-UHFFFAOYSA-N
XLogP6.75
TPSA100.46 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 56.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Analyze 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 146350111) is 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c2cc[nH]c2cc2[nH]ccc12.
What is the InChIKey of 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is UXRXCQXHFONBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-12(2)21-23(22-15-4-7-29-19(15)11-20-16(22)5-8-30-20)25(26(32)33)31-24(21)17-9-13(27)10-18-14(17)3-6-28-18/h3-12,28-31H,1-2H3,(H,32,33).
What are the key properties of 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 440.48 g/mol, XLogP of 6.75, 4 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dihydropyrrolo[3,2-f]indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146350111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).