4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C23H21FN4 — CID 164947030

IUPAC4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2[nH]ccc12
InChIInChI=1S/C23H21FN4/c1-12(2)20-21(16-5-8-26-23-17(16)6-9-27-23)13(3)28-22(20)18-10-14(24)11-19-15(18)4-7-25-19/h4-12,25,28H,1-3H3,(H,26,27)
InChIKeyOVPIJPMBHUMZAM-UHFFFAOYSA-N
MW372.45 g/mol
LogP6.28
Rot. Bonds3

About 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine

4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 164947030) has the molecular formula C23H21FN4 and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID164947030
Molecular FormulaC23H21FN4
Molecular Weight372.45 g/mol
Exact Mass372.18
IUPAC Name4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2[nH]ccc12
InChIInChI=1S/C23H21FN4/c1-12(2)20-21(16-5-8-26-23-17(16)6-9-27-23)13(3)28-22(20)18-10-14(24)11-19-15(18)4-7-25-19/h4-12,25,28H,1-3H3,(H,26,27)
InChIKeyOVPIJPMBHUMZAM-UHFFFAOYSA-N
XLogP6.28
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

L-775,606
CID 6426760
BN-81,644
CID 9802572
(3S)-3-(N-benzyl)aminomethyl-1-[2-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)ethyl]pyrrolidine
CID 10386282
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9844873
3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 10341917
3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 18975369
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
9H-Pyrido(2,3-b)indole
CID 67486
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 664284
N-phenyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328391

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 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) is 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2[nH]ccc12.
What is the InChIKey of 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OVPIJPMBHUMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4/c1-12(2)20-21(16-5-8-26-23-17(16)6-9-27-23)13(3)28-22(20)18-10-14(24)11-19-15(18)4-7-25-19/h4-12,25,28H,1-3H3,(H,26,27).
What are the key properties of 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 372.45 g/mol, XLogP of 6.28, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 164947030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).