4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

C19H14FN5O2 — CID 67454513

IUPAC4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=CN(c3ccc4[nH]ncc4c3)C(=O)C2C(c2ccc(F)cc2)N1
InChIInChI=1S/C19H14FN5O2/c20-12-3-1-10(2-4-12)17-16-15(22-19(27)23-17)9-25(18(16)26)13-5-6-14-11(7-13)8-21-24-14/h1-9,16-17H,(H,21,24)(H2,22,23,27)
InChIKeySODMMMJABFOXLB-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.56
Rot. Bonds2

About 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 67454513) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID67454513
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=CN(c3ccc4[nH]ncc4c3)C(=O)C2C(c2ccc(F)cc2)N1
InChIInChI=1S/C19H14FN5O2/c20-12-3-1-10(2-4-12)17-16-15(22-19(27)23-17)9-25(18(16)26)13-5-6-14-11(7-13)8-21-24-14/h1-9,16-17H,(H,21,24)(H2,22,23,27)
InChIKeySODMMMJABFOXLB-UHFFFAOYSA-N
XLogP2.56
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (CID 67454513) is 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is O=C1NC2=CN(c3ccc4[nH]ncc4c3)C(=O)C2C(c2ccc(F)cc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is SODMMMJABFOXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-12-3-1-10(2-4-12)17-16-15(22-19(27)23-17)9-25(18(16)26)13-5-6-14-11(7-13)8-21-24-14/h1-9,16-17H,(H,21,24)(H2,22,23,27).
What are the key properties of 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 363.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 67454513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).