(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C20H29FN4O — CID 155880200

IUPAC(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESFC1CC2(CCN(CC3C[C@@H]4CCN(c5ncccn5)C[C@@H]4O3)CC2)C1
InChIInChI=1S/C20H29FN4O/c21-16-11-20(12-16)3-8-24(9-4-20)13-17-10-15-2-7-25(14-18(15)26-17)19-22-5-1-6-23-19/h1,5-6,15-18H,2-4,7-14H2/t15-,17?,18-/m0/s1
InChIKeyMLEOQAHDOYQDBV-YKOWGRMDSA-N
MW360.48 g/mol
LogP2.67
Rot. Bonds3

About (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 155880200) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID155880200
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESFC1CC2(CCN(CC3C[C@@H]4CCN(c5ncccn5)C[C@@H]4O3)CC2)C1
InChIInChI=1S/C20H29FN4O/c21-16-11-20(12-16)3-8-24(9-4-20)13-17-10-15-2-7-25(14-18(15)26-17)19-22-5-1-6-23-19/h1,5-6,15-18H,2-4,7-14H2/t15-,17?,18-/m0/s1
InChIKeyMLEOQAHDOYQDBV-YKOWGRMDSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 155880200) is (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is FC1CC2(CCN(CC3C[C@@H]4CCN(c5ncccn5)C[C@@H]4O3)CC2)C1.
What is the InChIKey of (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is MLEOQAHDOYQDBV-YKOWGRMDSA-N. The full InChI is InChI=1S/C20H29FN4O/c21-16-11-20(12-16)3-8-24(9-4-20)13-17-10-15-2-7-25(14-18(15)26-17)19-22-5-1-6-23-19/h1,5-6,15-18H,2-4,7-14H2/t15-,17?,18-/m0/s1.
What are the key properties of (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 360.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 155880200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).