N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide

C17H17FN4O — CID 51334598

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCc3ccc(F)cc3)cc12
InChIInChI=1S/C17H17FN4O/c1-11-15-9-14(10-19-17(15)22(2)21-11)20-16(23)8-5-12-3-6-13(18)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,23)
InChIKeyMSLQCFPLKCVZIW-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.99
Rot. Bonds4

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide (PubChem CID 51334598) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
PubChem CID51334598
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCc3ccc(F)cc3)cc12
InChIInChI=1S/C17H17FN4O/c1-11-15-9-14(10-19-17(15)22(2)21-11)20-16(23)8-5-12-3-6-13(18)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,23)
InChIKeyMSLQCFPLKCVZIW-UHFFFAOYSA-N
XLogP2.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide (CID 51334598) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide is Cc1nn(C)c2ncc(NC(=O)CCc3ccc(F)cc3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide?
The InChIKey is MSLQCFPLKCVZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-15-9-14(10-19-17(15)22(2)21-11)20-16(23)8-5-12-3-6-13(18)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,23).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide has a molecular weight of 312.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 51334598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).