4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide

C21H21N5O2 — CID 170503416

IUPAC4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCOc1cccc2ccc(-c3cc(C)c4c(cnn4CCCC(N)=O)n3)nc12
InChIInChI=1S/C21H21N5O2/c1-13-11-16(15-9-8-14-5-3-6-18(28-2)20(14)25-15)24-17-12-23-26(21(13)17)10-4-7-19(22)27/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H2,22,27)
InChIKeyJJJNOKBDIPKHBA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.23
Rot. Bonds6

About 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide

4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide (PubChem CID 170503416) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide.

Molecular Properties

Compound Name4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
PubChem CID170503416
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCOc1cccc2ccc(-c3cc(C)c4c(cnn4CCCC(N)=O)n3)nc12
InChIInChI=1S/C21H21N5O2/c1-13-11-16(15-9-8-14-5-3-6-18(28-2)20(14)25-15)24-17-12-23-26(21(13)17)10-4-7-19(22)27/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H2,22,27)
InChIKeyJJJNOKBDIPKHBA-UHFFFAOYSA-N
XLogP3.23
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
CID 171913716
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
CID 56910045
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
CID 70709600
diethyl 2-[[4-[9-(2,6-dimethoxyphenyl)-1,10-phenanthrolin-2-yl]-3,5-dimethoxyphenyl]methyl]propanedioate
CID 11006673
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592
8-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)quinoline
CID 169418235
2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetamide;dihydrochloride
CID 118114796

Frequently Asked Questions

What is the IUPAC name of 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The IUPAC name of 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide (CID 170503416) is 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide.
What is the SMILES notation for 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The canonical SMILES for 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide is COc1cccc2ccc(-c3cc(C)c4c(cnn4CCCC(N)=O)n3)nc12.
What is the InChIKey of 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The InChIKey is JJJNOKBDIPKHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-11-16(15-9-8-14-5-3-6-18(28-2)20(14)25-15)24-17-12-23-26(21(13)17)10-4-7-19(22)27/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H2,22,27).
What are the key properties of 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide has a molecular weight of 375.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide is sourced from PubChem (CID 170503416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).