2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

C15H15FN6O — CID 118080387

IUPAC2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCn1ncc2c(F)cc(-c3nn4c(c3C(N)=O)CNCC4)cc21
InChIInChI=1S/C15H15FN6O/c1-21-11-5-8(4-10(16)9(11)6-19-21)14-13(15(17)23)12-7-18-2-3-22(12)20-14/h4-6,18H,2-3,7H2,1H3,(H2,17,23)
InChIKeySKBVPMYBJIQEPM-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.78
Rot. Bonds2

About 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide

2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 118080387) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID118080387
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCn1ncc2c(F)cc(-c3nn4c(c3C(N)=O)CNCC4)cc21
InChIInChI=1S/C15H15FN6O/c1-21-11-5-8(4-10(16)9(11)6-19-21)14-13(15(17)23)12-7-18-2-3-22(12)20-14/h4-6,18H,2-3,7H2,1H3,(H2,17,23)
InChIKeySKBVPMYBJIQEPM-UHFFFAOYSA-N
XLogP0.78
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 118080387) is 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is Cn1ncc2c(F)cc(-c3nn4c(c3C(N)=O)CNCC4)cc21.
What is the InChIKey of 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is SKBVPMYBJIQEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-21-11-5-8(4-10(16)9(11)6-19-21)14-13(15(17)23)12-7-18-2-3-22(12)20-14/h4-6,18H,2-3,7H2,1H3,(H2,17,23).
What are the key properties of 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118080387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).