N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C26H28N6O3 — CID 141462248

IUPACN-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]c3n2)c1
InChIInChI=1S/C26H28N6O3/c1-31-10-12-32(13-11-31)19-6-4-17(5-7-19)26(33)28-25-22-8-9-23(27-24(22)29-30-25)18-14-20(34-2)16-21(15-18)35-3/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,29,30,33)
InChIKeyCGYUQNOPKJQHHX-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.65
Rot. Bonds6

About N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 141462248) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID141462248
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]c3n2)c1
InChIInChI=1S/C26H28N6O3/c1-31-10-12-32(13-11-31)19-6-4-17(5-7-19)26(33)28-25-22-8-9-23(27-24(22)29-30-25)18-14-20(34-2)16-21(15-18)35-3/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,29,30,33)
InChIKeyCGYUQNOPKJQHHX-UHFFFAOYSA-N
XLogP3.65
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 141462248) is N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is COc1cc(OC)cc(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]c3n2)c1.
What is the InChIKey of N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is CGYUQNOPKJQHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-31-10-12-32(13-11-31)19-6-4-17(5-7-19)26(33)28-25-22-8-9-23(27-24(22)29-30-25)18-14-20(34-2)16-21(15-18)35-3/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,29,30,33).
What are the key properties of N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 472.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 141462248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).