2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H20FN7O — CID 71283686

IUPAC2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC1(NC(=O)c2c[nH]c3ncc(-c4n[nH]c5cc(CF)ccc45)nc23)CCNC1
InChIInChI=1S/C20H20FN7O/c1-20(4-5-22-10-20)26-19(29)13-8-23-18-17(13)25-15(9-24-18)16-12-3-2-11(7-21)6-14(12)27-28-16/h2-3,6,8-9,22H,4-5,7,10H2,1H3,(H,23,24)(H,26,29)(H,27,28)
InChIKeyVPXGUKQOKOAURW-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.45
Rot. Bonds4

About 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71283686) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71283686
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC1(NC(=O)c2c[nH]c3ncc(-c4n[nH]c5cc(CF)ccc45)nc23)CCNC1
InChIInChI=1S/C20H20FN7O/c1-20(4-5-22-10-20)26-19(29)13-8-23-18-17(13)25-15(9-24-18)16-12-3-2-11(7-21)6-14(12)27-28-16/h2-3,6,8-9,22H,4-5,7,10H2,1H3,(H,23,24)(H,26,29)(H,27,28)
InChIKeyVPXGUKQOKOAURW-UHFFFAOYSA-N
XLogP2.45
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71283686) is 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC1(NC(=O)c2c[nH]c3ncc(-c4n[nH]c5cc(CF)ccc45)nc23)CCNC1.
What is the InChIKey of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is VPXGUKQOKOAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-20(4-5-22-10-20)26-19(29)13-8-23-18-17(13)25-15(9-24-18)16-12-3-2-11(7-21)6-14(12)27-28-16/h2-3,6,8-9,22H,4-5,7,10H2,1H3,(H,23,24)(H,26,29)(H,27,28).
What are the key properties of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71283686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).