5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide

C23H25FN6O2 — CID 169410223

IUPAC5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide
SMILESC[C@H]1OCC2(CCN(c3cnc(C(=O)Nc4cc(F)cc5cccnc45)cn3)CC2)[C@H]1N
InChIInChI=1S/C23H25FN6O2/c1-14-21(25)23(13-32-14)4-7-30(8-5-23)19-12-27-18(11-28-19)22(31)29-17-10-16(24)9-15-3-2-6-26-20(15)17/h2-3,6,9-12,14,21H,4-5,7-8,13,25H2,1H3,(H,29,31)/t14-,21+/m1/s1
InChIKeyYLACLZPNGQXHKG-SZNDQCEHSA-N
MW436.49 g/mol
LogP2.75
Rot. Bonds3

About 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide

5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide (PubChem CID 169410223) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide
PubChem CID169410223
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide
SMILESC[C@H]1OCC2(CCN(c3cnc(C(=O)Nc4cc(F)cc5cccnc45)cn3)CC2)[C@H]1N
InChIInChI=1S/C23H25FN6O2/c1-14-21(25)23(13-32-14)4-7-30(8-5-23)19-12-27-18(11-28-19)22(31)29-17-10-16(24)9-15-3-2-6-26-20(15)17/h2-3,6,9-12,14,21H,4-5,7-8,13,25H2,1H3,(H,29,31)/t14-,21+/m1/s1
InChIKeyYLACLZPNGQXHKG-SZNDQCEHSA-N
XLogP2.75
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide (CID 169410223) is 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide is C[C@H]1OCC2(CCN(c3cnc(C(=O)Nc4cc(F)cc5cccnc45)cn3)CC2)[C@H]1N.
What is the InChIKey of 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide?
The InChIKey is YLACLZPNGQXHKG-SZNDQCEHSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-14-21(25)23(13-32-14)4-7-30(8-5-23)19-12-27-18(11-28-19)22(31)29-17-10-16(24)9-15-3-2-6-26-20(15)17/h2-3,6,9-12,14,21H,4-5,7-8,13,25H2,1H3,(H,29,31)/t14-,21+/m1/s1.
What are the key properties of 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide?
5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 169410223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).