4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide

C17H16F2N4O — CID 169412894

IUPAC4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCc1cc(-c2c(F)cccc2F)nc2cnn(CCCC(N)=O)c12
InChIInChI=1S/C17H16F2N4O/c1-10-8-13(16-11(18)4-2-5-12(16)19)22-14-9-21-23(17(10)14)7-3-6-15(20)24/h2,4-5,8-9H,3,6-7H2,1H3,(H2,20,24)
InChIKeyJQRSSNRQJWYJMX-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.95
Rot. Bonds5

About 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide

4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide (PubChem CID 169412894) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide.

Molecular Properties

Compound Name4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
PubChem CID169412894
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCc1cc(-c2c(F)cccc2F)nc2cnn(CCCC(N)=O)c12
InChIInChI=1S/C17H16F2N4O/c1-10-8-13(16-11(18)4-2-5-12(16)19)22-14-9-21-23(17(10)14)7-3-6-15(20)24/h2,4-5,8-9H,3,6-7H2,1H3,(H2,20,24)
InChIKeyJQRSSNRQJWYJMX-UHFFFAOYSA-N
XLogP2.95
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170503416
4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170506831
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-(4-amino-5-methylpyrazol-1-yl)pentanamide
CID 165471809
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide
CID 139440278
4-(3-acetyl-7-fluoroindol-1-yl)butanamide
CID 117098786
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 58872668
2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol
CID 43348943

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The IUPAC name of 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide (CID 169412894) is 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide.
What is the SMILES notation for 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The canonical SMILES for 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide is Cc1cc(-c2c(F)cccc2F)nc2cnn(CCCC(N)=O)c12.
What is the InChIKey of 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
The InChIKey is JQRSSNRQJWYJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-10-8-13(16-11(18)4-2-5-12(16)19)22-14-9-21-23(17(10)14)7-3-6-15(20)24/h2,4-5,8-9H,3,6-7H2,1H3,(H2,20,24).
What are the key properties of 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide?
4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide has a molecular weight of 330.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-difluorophenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide is sourced from PubChem (CID 169412894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).