3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide

C23H21ClN4O2 — CID 126650853

IUPAC3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide
SMILESCc1cc(OCc2[nH]nc3cccnc23)c(-c2cccc(C(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C23H21ClN4O2/c1-14-10-21(30-13-20-22-19(26-27-20)8-5-9-25-22)17(12-18(14)24)15-6-4-7-16(11-15)23(29)28(2)3/h4-12H,13H2,1-3H3,(H,26,27)
InChIKeyLUULMWUJQAARRJ-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.87
Rot. Bonds5

About 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide

3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide (PubChem CID 126650853) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide
PubChem CID126650853
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide
SMILESCc1cc(OCc2[nH]nc3cccnc23)c(-c2cccc(C(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C23H21ClN4O2/c1-14-10-21(30-13-20-22-19(26-27-20)8-5-9-25-22)17(12-18(14)24)15-6-4-7-16(11-15)23(29)28(2)3/h4-12H,13H2,1-3H3,(H,26,27)
InChIKeyLUULMWUJQAARRJ-UHFFFAOYSA-N
XLogP4.87
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide (CID 126650853) is 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide is Cc1cc(OCc2[nH]nc3cccnc23)c(-c2cccc(C(=O)N(C)C)c2)cc1Cl.
What is the InChIKey of 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide?
The InChIKey is LUULMWUJQAARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-10-21(30-13-20-22-19(26-27-20)8-5-9-25-22)17(12-18(14)24)15-6-4-7-16(11-15)23(29)28(2)3/h4-12H,13H2,1-3H3,(H,26,27).
What are the key properties of 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide?
3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide has a molecular weight of 420.90 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-ylmethoxy)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 126650853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).