4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide

C18H22N6O — CID 171913184

IUPAC4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESC=CCn1cc(-c2cc(C)c3c(cnn3CCCC(N)=O)n2)c(C)n1
InChIInChI=1S/C18H22N6O/c1-4-7-23-11-14(13(3)22-23)15-9-12(2)18-16(21-15)10-20-24(18)8-5-6-17(19)25/h4,9-11H,1,5-8H2,2-3H3,(H2,19,25)
InChIKeyCFOFMCZDXPGCJF-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.36
Rot. Bonds7

About 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide

4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide (PubChem CID 171913184) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide.

Molecular Properties

Compound Name4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
PubChem CID171913184
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESC=CCn1cc(-c2cc(C)c3c(cnn3CCCC(N)=O)n2)c(C)n1
InChIInChI=1S/C18H22N6O/c1-4-7-23-11-14(13(3)22-23)15-9-12(2)18-16(21-15)10-20-24(18)8-5-6-17(19)25/h4,9-11H,1,5-8H2,2-3H3,(H2,19,25)
InChIKeyCFOFMCZDXPGCJF-UHFFFAOYSA-N
XLogP2.36
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 169412894
4-[5-(4-methoxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170502990
4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 169419894
4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170506831
4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170503416
2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid
CID 171916329
2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 170505568
3-methyl-1-prop-2-enylpyrazol-4-ol
CID 70565491
5-(4-amino-5-methylpyrazol-1-yl)pentanamide
CID 165471809
2-methyl-4-[[4-(3-methyl-1-prop-2-enylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole
CID 72854369
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
2-amino-6-cyclobutyl-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyridine-3-carbonitrile
CID 56748356

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
The IUPAC name of 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide (CID 171913184) is 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide.
What is the SMILES notation for 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
The canonical SMILES for 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide is C=CCn1cc(-c2cc(C)c3c(cnn3CCCC(N)=O)n2)c(C)n1.
What is the InChIKey of 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
The InChIKey is CFOFMCZDXPGCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-7-23-11-14(13(3)22-23)15-9-12(2)18-16(21-15)10-20-24(18)8-5-6-17(19)25/h4,9-11H,1,5-8H2,2-3H3,(H2,19,25).
What are the key properties of 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide has a molecular weight of 338.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide is sourced from PubChem (CID 171913184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).