8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C19H25FN8O — CID 177003681

IUPAC8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESFC1CC2(C1)CN(C1=C(c3cn[nH]c3)N=CN3NC(NC4CCOCC4)N=C13)C2
InChIInChI=1S/C19H25FN8O/c20-13-5-19(6-13)9-27(10-19)16-15(12-7-22-23-8-12)21-11-28-17(16)25-18(26-28)24-14-1-3-29-4-2-14/h7-8,11,13-14,18,24,26H,1-6,9-10H2,(H,22,23)
InChIKeyZLAFSGFRHVRLLR-UHFFFAOYSA-N
MW400.46 g/mol
LogP0.82
Rot. Bonds4

About 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 177003681) has the molecular formula C19H25FN8O and a molecular weight of 400.46 g/mol. Its IUPAC name is 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID177003681
Molecular FormulaC19H25FN8O
Molecular Weight400.46 g/mol
Exact Mass400.21
IUPAC Name8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESFC1CC2(C1)CN(C1=C(c3cn[nH]c3)N=CN3NC(NC4CCOCC4)N=C13)C2
InChIInChI=1S/C19H25FN8O/c20-13-5-19(6-13)9-27(10-19)16-15(12-7-22-23-8-12)21-11-28-17(16)25-18(26-28)24-14-1-3-29-4-2-14/h7-8,11,13-14,18,24,26H,1-6,9-10H2,(H,22,23)
InChIKeyZLAFSGFRHVRLLR-UHFFFAOYSA-N
XLogP0.82
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 177003681) is 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is FC1CC2(C1)CN(C1=C(c3cn[nH]c3)N=CN3NC(NC4CCOCC4)N=C13)C2.
What is the InChIKey of 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is ZLAFSGFRHVRLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN8O/c20-13-5-19(6-13)9-27(10-19)16-15(12-7-22-23-8-12)21-11-28-17(16)25-18(26-28)24-14-1-3-29-4-2-14/h7-8,11,13-14,18,24,26H,1-6,9-10H2,(H,22,23).
What are the key properties of 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 177003681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).