N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H17FN4O — CID 134042792

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CC3c3ccccc3F)cc12
InChIInChI=1S/C18H17FN4O/c1-10-13-7-11(9-20-17(13)23(2)22-10)21-18(24)15-8-14(15)12-5-3-4-6-16(12)19/h3-7,9,14-15H,8H2,1-2H3,(H,21,24)
InChIKeyQWHMLFWACWFBCL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.16
Rot. Bonds3

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134042792) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134042792
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CC3c3ccccc3F)cc12
InChIInChI=1S/C18H17FN4O/c1-10-13-7-11(9-20-17(13)23(2)22-10)21-18(24)15-8-14(15)12-5-3-4-6-16(12)19/h3-7,9,14-15H,8H2,1-2H3,(H,21,24)
InChIKeyQWHMLFWACWFBCL-UHFFFAOYSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.16
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)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134042792) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is Cc1nn(C)c2ncc(NC(=O)C3CC3c3ccccc3F)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QWHMLFWACWFBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-10-13-7-11(9-20-17(13)23(2)22-10)21-18(24)15-8-14(15)12-5-3-4-6-16(12)19/h3-7,9,14-15H,8H2,1-2H3,(H,21,24).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.16, 3 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)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134042792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).