3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide

C18H19ClN4O3 — CID 51334534

IUPAC3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1OC
InChIInChI=1S/C18H19ClN4O3/c1-5-26-16-14(19)6-11(7-15(16)25-4)18(24)21-12-8-13-10(2)22-23(3)17(13)20-9-12/h6-9H,5H2,1-4H3,(H,21,24)
InChIKeyHFHLQSWVXHZLKL-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.59
Rot. Bonds5

About 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide

3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide (PubChem CID 51334534) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide
PubChem CID51334534
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1OC
InChIInChI=1S/C18H19ClN4O3/c1-5-26-16-14(19)6-11(7-15(16)25-4)18(24)21-12-8-13-10(2)22-23(3)17(13)20-9-12/h6-9H,5H2,1-4H3,(H,21,24)
InChIKeyHFHLQSWVXHZLKL-UHFFFAOYSA-N
XLogP3.59
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55775470
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30830270
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25417186
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 86917126

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide (CID 51334534) is 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1OC.
What is the InChIKey of 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide?
The InChIKey is HFHLQSWVXHZLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-5-26-16-14(19)6-11(7-15(16)25-4)18(24)21-12-8-13-10(2)22-23(3)17(13)20-9-12/h6-9H,5H2,1-4H3,(H,21,24).
What are the key properties of 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide?
3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide has a molecular weight of 374.83 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 51334534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).