4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide

C17H17ClN4O2 — CID 170506831

IUPAC4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCc1cc(-c2ccc(O)c(Cl)c2)nc2cnn(CCCC(N)=O)c12
InChIInChI=1S/C17H17ClN4O2/c1-10-7-13(11-4-5-15(23)12(18)8-11)21-14-9-20-22(17(10)14)6-2-3-16(19)24/h4-5,7-9,23H,2-3,6H2,1H3,(H2,19,24)
InChIKeyPLHWXRNTTPACMO-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.03
Rot. Bonds5

About 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide

4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide (PubChem CID 170506831) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide.

Molecular Properties

Compound Name4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
PubChem CID170506831
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCc1cc(-c2ccc(O)c(Cl)c2)nc2cnn(CCCC(N)=O)c12
InChIInChI=1S/C17H17ClN4O2/c1-10-7-13(11-4-5-15(23)12(18)8-11)21-14-9-20-22(17(10)14)6-2-3-16(19)24/h4-5,7-9,23H,2-3,6H2,1H3,(H2,19,24)
InChIKeyPLHWXRNTTPACMO-UHFFFAOYSA-N
XLogP3.03
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-methoxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170502990
4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 169412894
4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 169419894
4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170503416
4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 171913184
2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid
CID 171916329
5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
CID 169421295
4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
CID 112741051
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
5-(4-amino-5-methylpyrazol-1-yl)pentanamide
CID 165471809
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
2-chloro-4-(6-methyl-2-pyridinyl)phenol
CID 136929172

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The IUPAC name of 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide (CID 170506831) is 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide.
What is the SMILES notation for 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The canonical SMILES for 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide is Cc1cc(-c2ccc(O)c(Cl)c2)nc2cnn(CCCC(N)=O)c12.
What is the InChIKey of 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The InChIKey is PLHWXRNTTPACMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-7-13(11-4-5-15(23)12(18)8-11)21-14-9-20-22(17(10)14)6-2-3-16(19)24/h4-5,7-9,23H,2-3,6H2,1H3,(H2,19,24).
What are the key properties of 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide has a molecular weight of 344.80 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide is sourced from PubChem (CID 170506831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).