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

C20H20FN7O2 — CID 71288819

IUPACN-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4COC[C@H](N)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O2/c1-28-16-4-10(21)2-3-13(16)17(27-28)15-7-24-19-18(26-15)14(6-23-19)20(29)25-12-5-11(22)8-30-9-12/h2-4,6-7,11-12H,5,8-9,22H2,1H3,(H,23,24)(H,25,29)/t11-,12-/m1/s1
InChIKeySFPNGRVNEZGBGX-VXGBXAGGSA-N
MW409.43 g/mol
LogP1.50
Rot. Bonds3

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

N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288819) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288819
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC NameN-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4COC[C@H](N)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O2/c1-28-16-4-10(21)2-3-13(16)17(27-28)15-7-24-19-18(26-15)14(6-23-19)20(29)25-12-5-11(22)8-30-9-12/h2-4,6-7,11-12H,5,8-9,22H2,1H3,(H,23,24)(H,25,29)/t11-,12-/m1/s1
InChIKeySFPNGRVNEZGBGX-VXGBXAGGSA-N
XLogP1.50
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288819) is N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4COC[C@H](N)C4)c3n2)c2ccc(F)cc21.
What is the InChIKey of N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is SFPNGRVNEZGBGX-VXGBXAGGSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-28-16-4-10(21)2-3-13(16)17(27-28)15-7-24-19-18(26-15)14(6-23-19)20(29)25-12-5-11(22)8-30-9-12/h2-4,6-7,11-12H,5,8-9,22H2,1H3,(H,23,24)(H,25,29)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).