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

C25H23Cl2N5O4 — CID 118893320

IUPACN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCOCC5)cc4)n[nH]c3n2)c1Cl
InChIInChI=1S/C25H23Cl2N5O4/c1-34-18-13-19(35-2)22(27)20(21(18)26)17-8-7-16-23(28-17)30-31-24(16)29-25(33)14-3-5-15(6-4-14)32-9-11-36-12-10-32/h3-8,13H,9-12H2,1-2H3,(H2,28,29,30,31,33)
InChIKeyWLVKMBHRLFROHY-UHFFFAOYSA-N
MW528.40 g/mol
LogP5.04
Rot. Bonds6

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

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide (PubChem CID 118893320) has the molecular formula C25H23Cl2N5O4 and a molecular weight of 528.40 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide
PubChem CID118893320
Molecular FormulaC25H23Cl2N5O4
Molecular Weight528.40 g/mol
Exact Mass527.11
IUPAC NameN-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCOCC5)cc4)n[nH]c3n2)c1Cl
InChIInChI=1S/C25H23Cl2N5O4/c1-34-18-13-19(35-2)22(27)20(21(18)26)17-8-7-16-23(28-17)30-31-24(16)29-25(33)14-3-5-15(6-4-14)32-9-11-36-12-10-32/h3-8,13H,9-12H2,1-2H3,(H2,28,29,30,31,33)
InChIKeyWLVKMBHRLFROHY-UHFFFAOYSA-N
XLogP5.04
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.40
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-morpholin-4-ylbenzamide?
The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide (CID 118893320) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide is COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCOCC5)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-morpholin-4-ylbenzamide?
The InChIKey is WLVKMBHRLFROHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O4/c1-34-18-13-19(35-2)22(27)20(21(18)26)17-8-7-16-23(28-17)30-31-24(16)29-25(33)14-3-5-15(6-4-14)32-9-11-36-12-10-32/h3-8,13H,9-12H2,1-2H3,(H2,28,29,30,31,33).
What are the key properties of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide?
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 528.40 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 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-morpholin-4-ylbenzamide is sourced from PubChem (CID 118893320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).