(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C17H23N5O2 — CID 97421349

IUPAC(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1ccnc(OC[C@]23COC[C@H]2CN(Cc2cnn(C)c2)C3)n1
InChIInChI=1S/C17H23N5O2/c1-13-3-4-18-16(20-13)24-12-17-10-22(8-15(17)9-23-11-17)7-14-5-19-21(2)6-14/h3-6,15H,7-12H2,1-2H3/t15-,17+/m1/s1
InChIKeyDOWZUCBWGUQQAR-WBVHZDCISA-N
MW329.40 g/mol
LogP1.05
Rot. Bonds5

About (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97421349) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97421349
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1ccnc(OC[C@]23COC[C@H]2CN(Cc2cnn(C)c2)C3)n1
InChIInChI=1S/C17H23N5O2/c1-13-3-4-18-16(20-13)24-12-17-10-22(8-15(17)9-23-11-17)7-14-5-19-21(2)6-14/h3-6,15H,7-12H2,1-2H3/t15-,17+/m1/s1
InChIKeyDOWZUCBWGUQQAR-WBVHZDCISA-N
XLogP1.05
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97421349) is (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1ccnc(OC[C@]23COC[C@H]2CN(Cc2cnn(C)c2)C3)n1.
What is the InChIKey of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is DOWZUCBWGUQQAR-WBVHZDCISA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-3-4-18-16(20-13)24-12-17-10-22(8-15(17)9-23-11-17)7-14-5-19-21(2)6-14/h3-6,15H,7-12H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 329.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97421349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).