3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid

C23H23N5O3 — CID 141148126

IUPAC3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(C(=O)O)ccc45)cc3c2)CC1
InChIInChI=1S/C23H23N5O3/c1-14(29)28-8-6-27(7-9-28)13-15-2-5-19-17(10-15)12-21(24-19)22-18-4-3-16(23(30)31)11-20(18)25-26-22/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)(H,30,31)
InChIKeyRTCBILPDHQHVEV-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.07
Rot. Bonds4

About 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid

3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid (PubChem CID 141148126) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
PubChem CID141148126
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(C(=O)O)ccc45)cc3c2)CC1
InChIInChI=1S/C23H23N5O3/c1-14(29)28-8-6-27(7-9-28)13-15-2-5-19-17(10-15)12-21(24-19)22-18-4-3-16(23(30)31)11-20(18)25-26-22/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)(H,30,31)
InChIKeyRTCBILPDHQHVEV-UHFFFAOYSA-N
XLogP3.07
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid with MolForge

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Related Compounds

1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
CID 170984654
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
3-[5-(butylaminomethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
CID 136612612
4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
CID 135461250
2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
CID 135445358
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135468045
2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide
CID 135754590
methyl 3-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylate
CID 135466566
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
5-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 140560628
4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
CID 170984757
3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 39219859

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid (CID 141148126) is 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid is CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(C(=O)O)ccc45)cc3c2)CC1.
What is the InChIKey of 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid?
The InChIKey is RTCBILPDHQHVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14(29)28-8-6-27(7-9-28)13-15-2-5-19-17(10-15)12-21(24-19)22-18-4-3-16(23(30)31)11-20(18)25-26-22/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)(H,30,31).
What are the key properties of 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid?
3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid has a molecular weight of 417.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 141148126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).