(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C18H25N5O2 — CID 133142056

IUPAC(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1ccnc(OCC[C@H]2CO[C@H]3CN(Cc4cnn(C)c4)C[C@@H]23)n1
InChIInChI=1S/C18H25N5O2/c1-13-3-5-19-18(21-13)24-6-4-15-12-25-17-11-23(10-16(15)17)9-14-7-20-22(2)8-14/h3,5,7-8,15-17H,4,6,9-12H2,1-2H3/t15-,16-,17-/m0/s1
InChIKeyIMTUDXCOWOWDBA-ULQDDVLXSA-N
MW343.43 g/mol
LogP1.43
Rot. Bonds6

About (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 133142056) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID133142056
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1ccnc(OCC[C@H]2CO[C@H]3CN(Cc4cnn(C)c4)C[C@@H]23)n1
InChIInChI=1S/C18H25N5O2/c1-13-3-5-19-18(21-13)24-6-4-15-12-25-17-11-23(10-16(15)17)9-14-7-20-22(2)8-14/h3,5,7-8,15-17H,4,6,9-12H2,1-2H3/t15-,16-,17-/m0/s1
InChIKeyIMTUDXCOWOWDBA-ULQDDVLXSA-N
XLogP1.43
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124229915
(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124893286
3-(1-Methylpyrazol-4-yl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076674
(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155831547
(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
N-[[(3S,3aS,6aS)-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
CID 124230662
(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124232682
(3R,3aR,6aR)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124234512
N-[[(3S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
CID 124235726
(3R,3aR,6aR)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124235773
(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124246111
(8S)-2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124246112

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 133142056) is (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1ccnc(OCC[C@H]2CO[C@H]3CN(Cc4cnn(C)c4)C[C@@H]23)n1.
What is the InChIKey of (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is IMTUDXCOWOWDBA-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-3-5-19-18(21-13)24-6-4-15-12-25-17-11-23(10-16(15)17)9-14-7-20-22(2)8-14/h3,5,7-8,15-17H,4,6,9-12H2,1-2H3/t15-,16-,17-/m0/s1.
What are the key properties of (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 343.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 133142056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).