2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H20FN5O2 — CID 125245937

IUPAC2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(C[C@@]12COC[C@H]1CN(c1ncc(F)cn1)C2)NCc1ccccn1
InChIInChI=1S/C18H20FN5O2/c19-14-6-22-17(23-7-14)24-9-13-10-26-12-18(13,11-24)5-16(25)21-8-15-3-1-2-4-20-15/h1-4,6-7,13H,5,8-12H2,(H,21,25)/t13-,18-/m1/s1
InChIKeyVHDVKODWNYLNRQ-FZKQIMNGSA-N
MW357.39 g/mol
LogP1.17
Rot. Bonds5

About 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 125245937) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID125245937
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(C[C@@]12COC[C@H]1CN(c1ncc(F)cn1)C2)NCc1ccccn1
InChIInChI=1S/C18H20FN5O2/c19-14-6-22-17(23-7-14)24-9-13-10-26-12-18(13,11-24)5-16(25)21-8-15-3-1-2-4-20-15/h1-4,6-7,13H,5,8-12H2,(H,21,25)/t13-,18-/m1/s1
InChIKeyVHDVKODWNYLNRQ-FZKQIMNGSA-N
XLogP1.17
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Related Compounds

(3aR,7S,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97362642
(3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97364673
(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387292
(2S,3aS,6aS)-4-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97461075
4-(Methoxymethyl)-N-[(pyridin-2-YL)methyl]-1-(pyrimidin-2-YL)pyrrolidine-3-carboxamide
CID 124051902
(3aR*,6S*)-N-methyl-1-oxo-2-(2-pyridin-4-ylethyl)-N-(pyrimidin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
CID 70704937
3-(2-Hydroxyethyl)-N-[(pyridin-2-YL)methyl]-1-(pyrimidin-2-YL)pyrrolidine-3-carboxamide
CID 91923632
N-pyridin-2-yl-2-(1H-pyrrol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924868
(2S,3aS,7aR)-6-(5-fluoropyrimidin-2-yl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97364932
(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 124781480
N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 125240223
(3aR,7S,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127022309

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 125245937) is 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(C[C@@]12COC[C@H]1CN(c1ncc(F)cn1)C2)NCc1ccccn1.
What is the InChIKey of 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VHDVKODWNYLNRQ-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-14-6-22-17(23-7-14)24-9-13-10-26-12-18(13,11-24)5-16(25)21-8-15-3-1-2-4-20-15/h1-4,6-7,13H,5,8-12H2,(H,21,25)/t13-,18-/m1/s1.
What are the key properties of 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 357.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 125245937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).