N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide

C26H25Cl2N5O3 — CID 141462232

IUPACN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCCCC5)cc4)n[nH]c3n2)c1Cl
InChIInChI=1S/C26H25Cl2N5O3/c1-35-19-14-20(36-2)23(28)21(22(19)27)18-11-10-17-24(29-18)31-32-25(17)30-26(34)15-6-8-16(9-7-15)33-12-4-3-5-13-33/h6-11,14H,3-5,12-13H2,1-2H3,(H2,29,30,31,32,34)
InChIKeyLKDCZVWLKDZASK-UHFFFAOYSA-N
MW526.42 g/mol
LogP6.19
Rot. Bonds6

About N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 141462232) has the molecular formula C26H25Cl2N5O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID141462232
Molecular FormulaC26H25Cl2N5O3
Molecular Weight526.42 g/mol
Exact Mass525.13
IUPAC NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCCCC5)cc4)n[nH]c3n2)c1Cl
InChIInChI=1S/C26H25Cl2N5O3/c1-35-19-14-20(36-2)23(28)21(22(19)27)18-11-10-17-24(29-18)31-32-25(17)30-26(34)15-6-8-16(9-7-15)33-12-4-3-5-13-33/h6-11,14H,3-5,12-13H2,1-2H3,(H2,29,30,31,32,34)
InChIKeyLKDCZVWLKDZASK-UHFFFAOYSA-N
XLogP6.19
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Segigratinib
CID 118893637
US10562900, Example 63
CID 118893305
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 118893306
US10562900, Example 65
CID 118893337
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide
CID 141462235
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 141462239
4-(4-acetylpiperazin-1-yl)-N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]benzamide
CID 141462247
4-(4-cyclobutylpiperazin-1-yl)-N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]benzamide
CID 141462250
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-prop-2-enylpiperazin-1-yl)benzamide
CID 141462277
US10562900, Example 70
CID 118893320
US10562900, Example 85
CID 118893324
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 118893647

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 141462232) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide is COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCCCC5)cc4)n[nH]c3n2)c1Cl.
What is the InChIKey of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is LKDCZVWLKDZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3/c1-35-19-14-20(36-2)23(28)21(22(19)27)18-11-10-17-24(29-18)31-32-25(17)30-26(34)15-6-8-16(9-7-15)33-12-4-3-5-13-33/h6-11,14H,3-5,12-13H2,1-2H3,(H2,29,30,31,32,34).
What are the key properties of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 526.42 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 141462232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).