N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide

C23H24FN5O2 — CID 166329181

IUPACN-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1c1nccnc1F)c1cncc2ccccc12
InChIInChI=1S/C23H24FN5O2/c24-20-21(27-8-7-26-20)29-15-23(5-9-31-10-6-23)11-17(29)13-28-22(30)19-14-25-12-16-3-1-2-4-18(16)19/h1-4,7-8,12,14,17H,5-6,9-11,13,15H2,(H,28,30)
InChIKeyLLCLYCBGVFSMGG-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.97
Rot. Bonds4

About N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide

N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide (PubChem CID 166329181) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide
PubChem CID166329181
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC NameN-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1c1nccnc1F)c1cncc2ccccc12
InChIInChI=1S/C23H24FN5O2/c24-20-21(27-8-7-26-20)29-15-23(5-9-31-10-6-23)11-17(29)13-28-22(30)19-14-25-12-16-3-1-2-4-18(16)19/h1-4,7-8,12,14,17H,5-6,9-11,13,15H2,(H,28,30)
InChIKeyLLCLYCBGVFSMGG-UHFFFAOYSA-N
XLogP2.97
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide?
The IUPAC name of N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide (CID 166329181) is N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide.
What is the SMILES notation for N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide?
The canonical SMILES for N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide is O=C(NCC1CC2(CCOCC2)CN1c1nccnc1F)c1cncc2ccccc12.
What is the InChIKey of N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide?
The InChIKey is LLCLYCBGVFSMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-20-21(27-8-7-26-20)29-15-23(5-9-31-10-6-23)11-17(29)13-28-22(30)19-14-25-12-16-3-1-2-4-18(16)19/h1-4,7-8,12,14,17H,5-6,9-11,13,15H2,(H,28,30).
What are the key properties of N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide?
N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide is sourced from PubChem (CID 166329181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).