5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide

C20H19FN6O2 — CID 177163686

IUPAC5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2c(-c3cncc(F)c3)n(C)nc21
InChIInChI=1S/C20H19FN6O2/c1-9-4-5-13(28)10(2)16(9)27-18(22)15(19(23)29)14-17(26(3)25-20(14)27)11-6-12(21)8-24-7-11/h4-8,28H,22H2,1-3H3,(H2,23,29)
InChIKeyWNCZIIVPIMGZNS-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.57
Rot. Bonds3

About 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide

5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide (PubChem CID 177163686) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide
PubChem CID177163686
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2c(-c3cncc(F)c3)n(C)nc21
InChIInChI=1S/C20H19FN6O2/c1-9-4-5-13(28)10(2)16(9)27-18(22)15(19(23)29)14-17(26(3)25-20(14)27)11-6-12(21)8-24-7-11/h4-8,28H,22H2,1-3H3,(H2,23,29)
InChIKeyWNCZIIVPIMGZNS-UHFFFAOYSA-N
XLogP2.57
TPSA124.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide (CID 177163686) is 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2c(-c3cncc(F)c3)n(C)nc21.
What is the InChIKey of 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide?
The InChIKey is WNCZIIVPIMGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-9-4-5-13(28)10(2)16(9)27-18(22)15(19(23)29)14-17(26(3)25-20(14)27)11-6-12(21)8-24-7-11/h4-8,28H,22H2,1-3H3,(H2,23,29).
What are the key properties of 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide?
5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide is sourced from PubChem (CID 177163686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).