[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C19H23N7O — CID 164698143

IUPAC[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2nc(C)c(C(=O)N3Cc4nnc(C5CC5)n4[C@@H](C)C3)c2n1
InChIInChI=1S/C19H23N7O/c1-10-7-11(2)26-18(20-10)16(13(4)23-26)19(27)24-8-12(3)25-15(9-24)21-22-17(25)14-5-6-14/h7,12,14H,5-6,8-9H2,1-4H3/t12-/m0/s1
InChIKeyVSQPJLHUPGUJGF-LBPRGKRZSA-N
MW365.44 g/mol
LogP2.34
Rot. Bonds2

About [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 164698143) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID164698143
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2nc(C)c(C(=O)N3Cc4nnc(C5CC5)n4[C@@H](C)C3)c2n1
InChIInChI=1S/C19H23N7O/c1-10-7-11(2)26-18(20-10)16(13(4)23-26)19(27)24-8-12(3)25-15(9-24)21-22-17(25)14-5-6-14/h7,12,14H,5-6,8-9H2,1-4H3/t12-/m0/s1
InChIKeyVSQPJLHUPGUJGF-LBPRGKRZSA-N
XLogP2.34
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 164698143) is [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1cc(C)n2nc(C)c(C(=O)N3Cc4nnc(C5CC5)n4[C@@H](C)C3)c2n1.
What is the InChIKey of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is VSQPJLHUPGUJGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N7O/c1-10-7-11(2)26-18(20-10)16(13(4)23-26)19(27)24-8-12(3)25-15(9-24)21-22-17(25)14-5-6-14/h7,12,14H,5-6,8-9H2,1-4H3/t12-/m0/s1.
What are the key properties of [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 164698143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).