2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine

C25H17N7 — CID 141368891

IUPAC2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc2[nH]c(-c3nc(-c4cc5ncccc5[nH]4)c(-c4n[nH]c5ccccc45)[nH]3)cc2c1
InChIInChI=1S/C25H17N7/c1-3-8-16-14(6-1)12-21(27-16)25-29-23(20-13-19-18(28-20)10-5-11-26-19)24(30-25)22-15-7-2-4-9-17(15)31-32-22/h1-13,27-28H,(H,29,30)(H,31,32)
InChIKeyAILULUNWYOFOKD-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.64
Rot. Bonds3

About 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine

2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 141368891) has the molecular formula C25H17N7 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID141368891
Molecular FormulaC25H17N7
Molecular Weight415.46 g/mol
Exact Mass415.15
IUPAC Name2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc2[nH]c(-c3nc(-c4cc5ncccc5[nH]4)c(-c4n[nH]c5ccccc45)[nH]3)cc2c1
InChIInChI=1S/C25H17N7/c1-3-8-16-14(6-1)12-21(27-16)25-29-23(20-13-19-18(28-20)10-5-11-26-19)24(30-25)22-15-7-2-4-9-17(15)31-32-22/h1-13,27-28H,(H,29,30)(H,31,32)
InChIKeyAILULUNWYOFOKD-UHFFFAOYSA-N
XLogP5.64
TPSA101.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-ol
CID 137115267
6-(2-fluoro-4-pyridinyl)-3-(1H-indol-2-yl)-1H-indazole
CID 135532327
2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
CID 135445358
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
1H-indazol-3-amine;quinoline
CID 158589437
2-(1H-indazol-3-yl)-1,10-phenanthroline
CID 71243200
3-(1H-indol-2-yl)-1H-indazole-6-sulfonamide
CID 135506581
N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137113237
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114424
2-(1H-indazol-3-yl)quinazoline
CID 154276744
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine (CID 141368891) is 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine is c1ccc2[nH]c(-c3nc(-c4cc5ncccc5[nH]4)c(-c4n[nH]c5ccccc45)[nH]3)cc2c1.
What is the InChIKey of 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is AILULUNWYOFOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7/c1-3-8-16-14(6-1)12-21(27-16)25-29-23(20-13-19-18(28-20)10-5-11-26-19)24(30-25)22-15-7-2-4-9-17(15)31-32-22/h1-13,27-28H,(H,29,30)(H,31,32).
What are the key properties of 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 415.46 g/mol, XLogP of 5.64, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 141368891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).