8-(6,6-difluoro-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

C19H24F2N8O — CID 177003569

IUPAC8-(6,6-difluoro-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
SMILESFC1(F)CC2(CN(C3=C(c4cn[nH]c4)N=CN4NC(NC5CCOCC5)N=C34)C2)C1
InChIInChI=1S/C19H24F2N8O/c20-19(21)7-18(8-19)9-28(10-18)15-14(12-5-23-24-6-12)22-11-29-16(15)26-17(27-29)25-13-1-3-30-4-2-13/h5-6,11,13,17,25,27H,1-4,7-10H2,(H,23,24)
InChIKeySMQROAYTFXTLBP-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.12
Rot. Bonds4

About 8-(6,6-difluoro-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-(6,6-difluoro-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 177003569) has the molecular formula C19H24F2N8O and a molecular weight of 418.45 g/mol. Its IUPAC name is 8-(6,6-difluoro-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-(6,6-difluoro-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 CID177003569
Molecular FormulaC19H24F2N8O
Molecular Weight418.45 g/mol
Exact Mass418.20
IUPAC Name8-(6,6-difluoro-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
SMILESFC1(F)CC2(CN(C3=C(c4cn[nH]c4)N=CN4NC(NC5CCOCC5)N=C34)C2)C1
InChIInChI=1S/C19H24F2N8O/c20-19(21)7-18(8-19)9-28(10-18)15-14(12-5-23-24-6-12)22-11-29-16(15)26-17(27-29)25-13-1-3-30-4-2-13/h5-6,11,13,17,25,27H,1-4,7-10H2,(H,23,24)
InChIKeySMQROAYTFXTLBP-UHFFFAOYSA-N
XLogP1.12
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-(6,6-difluoro-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-(6,6-difluoro-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-(6,6-difluoro-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 177003569) is 8-(6,6-difluoro-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-(6,6-difluoro-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-(6,6-difluoro-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 FC1(F)CC2(CN(C3=C(c4cn[nH]c4)N=CN4NC(NC5CCOCC5)N=C34)C2)C1.
What is the InChIKey of 8-(6,6-difluoro-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 SMQROAYTFXTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N8O/c20-19(21)7-18(8-19)9-28(10-18)15-14(12-5-23-24-6-12)22-11-29-16(15)26-17(27-29)25-13-1-3-30-4-2-13/h5-6,11,13,17,25,27H,1-4,7-10H2,(H,23,24).
What are the key properties of 8-(6,6-difluoro-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-(6,6-difluoro-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 418.45 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6,6-difluoro-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 177003569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).