4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine

C19H22FN7 — CID 155942024

IUPAC4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCCc1ncnc(N2CC3CN(c4nccn5nc(C)cc45)CC3C2)c1F
InChIInChI=1S/C19H22FN7/c1-3-15-17(20)19(23-11-22-15)26-9-13-7-25(8-14(13)10-26)18-16-6-12(2)24-27(16)5-4-21-18/h4-6,11,13-14H,3,7-10H2,1-2H3
InChIKeyIPCGEWOWHBDHKB-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.10
Rot. Bonds3

About 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine

4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 155942024) has the molecular formula C19H22FN7 and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID155942024
Molecular FormulaC19H22FN7
Molecular Weight367.43 g/mol
Exact Mass367.19
IUPAC Name4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCCc1ncnc(N2CC3CN(c4nccn5nc(C)cc45)CC3C2)c1F
InChIInChI=1S/C19H22FN7/c1-3-15-17(20)19(23-11-22-15)26-9-13-7-25(8-14(13)10-26)18-16-6-12(2)24-27(16)5-4-21-18/h4-6,11,13-14H,3,7-10H2,1-2H3
InChIKeyIPCGEWOWHBDHKB-UHFFFAOYSA-N
XLogP2.10
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine (CID 155942024) is 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine is CCc1ncnc(N2CC3CN(c4nccn5nc(C)cc45)CC3C2)c1F.
What is the InChIKey of 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is IPCGEWOWHBDHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7/c1-3-15-17(20)19(23-11-22-15)26-9-13-7-25(8-14(13)10-26)18-16-6-12(2)24-27(16)5-4-21-18/h4-6,11,13-14H,3,7-10H2,1-2H3.
What are the key properties of 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine?
4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 367.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 155942024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).