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

C25H24Cl2N6O3 — CID 129308354

IUPACN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCNCC5)cc4)n[nH]c3n2)c1Cl
InChIInChI=1S/C25H24Cl2N6O3/c1-35-18-13-19(36-2)22(27)20(21(18)26)17-8-7-16-23(29-17)31-32-24(16)30-25(34)14-3-5-15(6-4-14)33-11-9-28-10-12-33/h3-8,13,28H,9-12H2,1-2H3,(H2,29,30,31,32,34)
InChIKeyDIWQOKGQGDKTJJ-UHFFFAOYSA-N
MW527.41 g/mol
LogP4.61
Rot. Bonds6

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

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide (PubChem CID 129308354) has the molecular formula C25H24Cl2N6O3 and a molecular weight of 527.41 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide
PubChem CID129308354
Molecular FormulaC25H24Cl2N6O3
Molecular Weight527.41 g/mol
Exact Mass526.13
IUPAC NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCNCC5)cc4)n[nH]c3n2)c1Cl
InChIInChI=1S/C25H24Cl2N6O3/c1-35-18-13-19(36-2)22(27)20(21(18)26)17-8-7-16-23(29-17)31-32-24(16)30-25(34)14-3-5-15(6-4-14)33-11-9-28-10-12-33/h3-8,13,28H,9-12H2,1-2H3,(H2,29,30,31,32,34)
InChIKeyDIWQOKGQGDKTJJ-UHFFFAOYSA-N
XLogP4.61
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.41
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 154827116
N-[2-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 152979565
N-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-4-(3-methylpiperazin-1-yl)benzamide
CID 153406241
N-[6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-1H-indazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 166774557
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-5-(3,5-dimethylpiperazin-1-yl)pyridine-2-carboxamide
CID 145019752
1-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-3-[6-(4-piperazin-1-ylanilino)pyrimidin-4-yl]urea
CID 174216516
4-(4-acetylpiperazin-1-yl)-N-[6-(2-fluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]benzamide
CID 155208906
N-[2-(2,6-dichloro-3,5-dimethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-4-(3,3-dimethylpiperazin-1-yl)-3-fluorobenzamide
CID 153208781
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
5-chloro-2-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494570
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
CID 162387037
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-(4-piperazin-1-ylanilino)pyrimidin-4-yl]urea;ethane
CID 166113033

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-piperazin-1-ylbenzamide?
The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide (CID 129308354) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-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-piperazin-1-ylbenzamide?
The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide is COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCNCC5)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-piperazin-1-ylbenzamide?
The InChIKey is DIWQOKGQGDKTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O3/c1-35-18-13-19(36-2)22(27)20(21(18)26)17-8-7-16-23(29-17)31-32-24(16)30-25(34)14-3-5-15(6-4-14)33-11-9-28-10-12-33/h3-8,13,28H,9-12H2,1-2H3,(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-piperazin-1-ylbenzamide?
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 527.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-piperazin-1-ylbenzamide is sourced from PubChem (CID 129308354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).