(3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

C16H17FN4O3 — CID 124782301

IUPAC(3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@H]21
InChIInChI=1S/C16H17FN4O3/c17-10-4-19-16(20-5-10)21-7-12-13(9-24-14(12)8-21)15(22)18-6-11-2-1-3-23-11/h1-5,12-14H,6-9H2,(H,18,22)/t12-,13+,14-/m0/s1
InChIKeyQLJIRJKVDPEFQZ-MJBXVCDLSA-N
MW332.34 g/mol
LogP0.98
Rot. Bonds4

About (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

(3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (PubChem CID 124782301) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name(3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
PubChem CID124782301
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name(3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@H]21
InChIInChI=1S/C16H17FN4O3/c17-10-4-19-16(20-5-10)21-7-12-13(9-24-14(12)8-21)15(22)18-6-11-2-1-3-23-11/h1-5,12-14H,6-9H2,(H,18,22)/t12-,13+,14-/m0/s1
InChIKeyQLJIRJKVDPEFQZ-MJBXVCDLSA-N
XLogP0.98
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide with MolForge

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Related Compounds

2-[(3S,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97485930
(3aR,6S,7aR)-4-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365129
N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124812901
2-[(3S,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97485898
(3aS,4R,7aS)-6-cyclopentyl-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97387977
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
(3aR,4S,7aR)-N-(furan-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124783202
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666
1-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155830734

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The IUPAC name of (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (CID 124782301) is (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.
What is the SMILES notation for (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The canonical SMILES for (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is O=C(NCc1ccco1)[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@H]21.
What is the InChIKey of (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The InChIKey is QLJIRJKVDPEFQZ-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-10-4-19-16(20-5-10)21-7-12-13(9-24-14(12)8-21)15(22)18-6-11-2-1-3-23-11/h1-5,12-14H,6-9H2,(H,18,22)/t12-,13+,14-/m0/s1.
What are the key properties of (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
(3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-N-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is sourced from PubChem (CID 124782301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).