1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C28H23FN6 — CID 137116176

IUPAC1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC(=CN=C1)C2=CC3=C(C=C2)NN=C3C4=CC5=C(N4)C=NC=C5C6=CC(=CC=C6)F
InChIInChI=1S/C28H23FN6/c1-35(2)16-17-8-20(13-30-12-17)18-6-7-25-23(10-18)28(34-33-25)26-11-22-24(14-31-15-27(22)32-26)19-4-3-5-21(29)9-19/h3-15,32H,16H2,1-2H3,(H,33,34)
InChIKeyUVOJMTVYPAPUJL-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.40
Rot. Bonds5

About 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 137116176) has the molecular formula C28H23FN6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID137116176
Molecular FormulaC28H23FN6
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC(=CN=C1)C2=CC3=C(C=C2)NN=C3C4=CC5=C(N4)C=NC=C5C6=CC(=CC=C6)F
InChIInChI=1S/C28H23FN6/c1-35(2)16-17-8-20(13-30-12-17)18-6-7-25-23(10-18)28(34-33-25)26-11-22-24(14-31-15-27(22)32-26)19-4-3-5-21(29)9-19/h3-15,32H,16H2,1-2H3,(H,33,34)
InChIKeyUVOJMTVYPAPUJL-UHFFFAOYSA-N
XLogP4.40
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity707

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

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CID 135438541
3-(4-Fluorophenyl)-2-(pyridin-4-yl)-1h-pyrrolo[3,2-b]pyridine
CID 11833097
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3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 137116176) is 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)CC1=CC(=CN=C1)C2=CC3=C(C=C2)NN=C3C4=CC5=C(N4)C=NC=C5C6=CC(=CC=C6)F.
What is the InChIKey of 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is UVOJMTVYPAPUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6/c1-35(2)16-17-8-20(13-30-12-17)18-6-7-25-23(10-18)28(34-33-25)26-11-22-24(14-31-15-27(22)32-26)19-4-3-5-21(29)9-19/h3-15,32H,16H2,1-2H3,(H,33,34).
What are the key properties of 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 462.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137116176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).