1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid

C24H23N7O3 — CID 174725876

IUPAC1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESCN1CCN(c2ccc(NC(=O)n3nc(C(=O)O)c4cc(-c5cccnc5)ccc43)cn2)CC1
InChIInChI=1S/C24H23N7O3/c1-29-9-11-30(12-10-29)21-7-5-18(15-26-21)27-24(34)31-20-6-4-16(17-3-2-8-25-14-17)13-19(20)22(28-31)23(32)33/h2-8,13-15H,9-12H2,1H3,(H,27,34)(H,32,33)
InChIKeyPTJHKLYADFWBPV-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.02
Rot. Bonds4

About 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid

1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid (PubChem CID 174725876) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
PubChem CID174725876
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESCN1CCN(c2ccc(NC(=O)n3nc(C(=O)O)c4cc(-c5cccnc5)ccc43)cn2)CC1
InChIInChI=1S/C24H23N7O3/c1-29-9-11-30(12-10-29)21-7-5-18(15-26-21)27-24(34)31-20-6-4-16(17-3-2-8-25-14-17)13-19(20)22(28-31)23(32)33/h2-8,13-15H,9-12H2,1H3,(H,27,34)(H,32,33)
InChIKeyPTJHKLYADFWBPV-UHFFFAOYSA-N
XLogP3.02
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid with MolForge

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Related Compounds

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]indazole-3-carboxylic acid
CID 175285285
1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174725752
5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid
CID 174835132
1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174835202
N-(6-piperidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450862
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]indazole-3-carboxylic acid
CID 174835308
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451008
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
CID 126623066
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The IUPAC name of 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid (CID 174725876) is 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid.
What is the SMILES notation for 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The canonical SMILES for 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid is CN1CCN(c2ccc(NC(=O)n3nc(C(=O)O)c4cc(-c5cccnc5)ccc43)cn2)CC1.
What is the InChIKey of 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The InChIKey is PTJHKLYADFWBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-29-9-11-30(12-10-29)21-7-5-18(15-26-21)27-24(34)31-20-6-4-16(17-3-2-8-25-14-17)13-19(20)22(28-31)23(32)33/h2-8,13-15H,9-12H2,1H3,(H,27,34)(H,32,33).
What are the key properties of 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid has a molecular weight of 457.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid is sourced from PubChem (CID 174725876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).