N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide

C17H20FN5O2 — CID 97420666

IUPACN-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H20FN5O2/c1-22-4-2-3-14(22)15(24)21-9-17-10-23(7-12(17)8-25-11-17)16-19-5-13(18)6-20-16/h2-6,12H,7-11H2,1H3,(H,21,24)/t12-,17+/m1/s1
InChIKeyDHZBIDRFXMFSTP-PXAZEXFGSA-N
MW345.38 g/mol
LogP0.84
Rot. Bonds4

About N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97420666) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID97420666
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H20FN5O2/c1-22-4-2-3-14(22)15(24)21-9-17-10-23(7-12(17)8-25-11-17)16-19-5-13(18)6-20-16/h2-6,12H,7-11H2,1H3,(H,21,24)/t12-,17+/m1/s1
InChIKeyDHZBIDRFXMFSTP-PXAZEXFGSA-N
XLogP0.84
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 97420666) is N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2.
What is the InChIKey of N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is DHZBIDRFXMFSTP-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-22-4-2-3-14(22)15(24)21-9-17-10-23(7-12(17)8-25-11-17)16-19-5-13(18)6-20-16/h2-6,12H,7-11H2,1H3,(H,21,24)/t12-,17+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97420666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).