(5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

C21H18FN7O2 — CID 137105674

IUPAC(5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCCCc1nc(-c2nc3c(c(=O)[nH]2)[C@](C)(c2ccc(F)cc2)C(=O)N3)cn2ncnc12
InChIInChI=1S/C21H18FN7O2/c1-3-4-13-18-23-10-24-29(18)9-14(25-13)16-26-17-15(19(30)27-16)21(2,20(31)28-17)11-5-7-12(22)8-6-11/h5-10H,3-4H2,1-2H3,(H2,26,27,28,30,31)/t21-/m0/s1
InChIKeyQZVDNDBVKIRAMV-NRFANRHFSA-N
MW419.42 g/mol
LogP2.22
Rot. Bonds4

About (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

(5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione (PubChem CID 137105674) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
PubChem CID137105674
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name(5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCCCc1nc(-c2nc3c(c(=O)[nH]2)[C@](C)(c2ccc(F)cc2)C(=O)N3)cn2ncnc12
InChIInChI=1S/C21H18FN7O2/c1-3-4-13-18-23-10-24-29(18)9-14(25-13)16-26-17-15(19(30)27-16)21(2,20(31)28-17)11-5-7-12(22)8-6-11/h5-10H,3-4H2,1-2H3,(H2,26,27,28,30,31)/t21-/m0/s1
InChIKeyQZVDNDBVKIRAMV-NRFANRHFSA-N
XLogP2.22
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The IUPAC name of (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione (CID 137105674) is (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The canonical SMILES for (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione is CCCc1nc(-c2nc3c(c(=O)[nH]2)[C@](C)(c2ccc(F)cc2)C(=O)N3)cn2ncnc12.
What is the InChIKey of (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The InChIKey is QZVDNDBVKIRAMV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-3-4-13-18-23-10-24-29(18)9-14(25-13)16-26-17-15(19(30)27-16)21(2,20(31)28-17)11-5-7-12(22)8-6-11/h5-10H,3-4H2,1-2H3,(H2,26,27,28,30,31)/t21-/m0/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
(5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione has a molecular weight of 419.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorophenyl)-5-methyl-2-(8-propyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione is sourced from PubChem (CID 137105674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).