2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H19FN6O2 — CID 71290382

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC[C@H]4CCCO4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN6O2/c1-27-16-7-11(21)4-5-13(16)17(26-27)15-10-23-19-18(25-15)14(9-22-19)20(28)24-8-12-3-2-6-29-12/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,22,23)(H,24,28)/t12-/m1/s1
InChIKeyMZTVBTOUWGJJEN-GFCCVEGCSA-N
MW394.41 g/mol
LogP2.56
Rot. Bonds4

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71290382) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71290382
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC[C@H]4CCCO4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN6O2/c1-27-16-7-11(21)4-5-13(16)17(26-27)15-10-23-19-18(25-15)14(9-22-19)20(28)24-8-12-3-2-6-29-12/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,22,23)(H,24,28)/t12-/m1/s1
InChIKeyMZTVBTOUWGJJEN-GFCCVEGCSA-N
XLogP2.56
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71290382) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC[C@H]4CCCO4)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MZTVBTOUWGJJEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-27-16-7-11(21)4-5-13(16)17(26-27)15-10-23-19-18(25-15)14(9-22-19)20(28)24-8-12-3-2-6-29-12/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,22,23)(H,24,28)/t12-/m1/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71290382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).