1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone

C27H26N6O — CID 170984654

IUPAC1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc3c2)CC1
InChIInChI=1S/C27H26N6O/c1-18(34)33-11-9-32(10-12-33)17-19-4-6-24-22(13-19)15-26(29-24)27-23-14-20(5-7-25(23)30-31-27)21-3-2-8-28-16-21/h2-8,13-16,29H,9-12,17H2,1H3,(H,30,31)
InChIKeyGFJKDVSIUMKFDD-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.44
Rot. Bonds4

About 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 170984654) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID170984654
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc3c2)CC1
InChIInChI=1S/C27H26N6O/c1-18(34)33-11-9-32(10-12-33)17-19-4-6-24-22(13-19)15-26(29-24)27-23-14-20(5-7-25(23)30-31-27)21-3-2-8-28-16-21/h2-8,13-16,29H,9-12,17H2,1H3,(H,30,31)
InChIKeyGFJKDVSIUMKFDD-UHFFFAOYSA-N
XLogP4.44
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148126
4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
CID 170984757
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide
CID 137088107
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804
1-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137313030
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
(4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 156528753
4-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137111919
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252791

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone (CID 170984654) is 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc3c2)CC1.
What is the InChIKey of 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is GFJKDVSIUMKFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-18(34)33-11-9-32(10-12-33)17-19-4-6-24-22(13-19)15-26(29-24)27-23-14-20(5-7-25(23)30-31-27)21-3-2-8-28-16-21/h2-8,13-16,29H,9-12,17H2,1H3,(H,30,31).
What are the key properties of 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 450.55 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 170984654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).