(3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone

C17H15FN4O — CID 164597738

IUPAC(3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone
SMILESCc1c(F)cccc1C(=O)n1nc(N)c2ccc(C3CC3)nc21
InChIInChI=1S/C17H15FN4O/c1-9-11(3-2-4-13(9)18)17(23)22-16-12(15(19)21-22)7-8-14(20-16)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H2,19,21)
InChIKeyLRJMJGXJICGWQA-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.03
Rot. Bonds2

About (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone

(3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone (PubChem CID 164597738) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone
PubChem CID164597738
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name(3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone
SMILESCc1c(F)cccc1C(=O)n1nc(N)c2ccc(C3CC3)nc21
InChIInChI=1S/C17H15FN4O/c1-9-11(3-2-4-13(9)18)17(23)22-16-12(15(19)21-22)7-8-14(20-16)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H2,19,21)
InChIKeyLRJMJGXJICGWQA-UHFFFAOYSA-N
XLogP3.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone?
The IUPAC name of (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone (CID 164597738) is (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone is Cc1c(F)cccc1C(=O)n1nc(N)c2ccc(C3CC3)nc21.
What is the InChIKey of (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone?
The InChIKey is LRJMJGXJICGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-9-11(3-2-4-13(9)18)17(23)22-16-12(15(19)21-22)7-8-14(20-16)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H2,19,21).
What are the key properties of (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone?
(3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone has a molecular weight of 310.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl)-(3-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 164597738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).