(5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one

C20H20N8O — CID 50995201

IUPAC(5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CNC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1
InChIInChI=1S/C20H20N8O/c1-12(2)16-10-21-20(29)28(16)17-7-8-27-19(25-17)15(9-24-27)13-3-5-14(6-4-13)18-22-11-23-26-18/h3-9,11-12,16H,10H2,1-2H3,(H,21,29)(H,22,23,26)/t16-/m1/s1
InChIKeyZVKWJZKYAOIRIY-MRXNPFEDSA-N
MW388.44 g/mol
LogP2.74
Rot. Bonds4

About (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one

(5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one (PubChem CID 50995201) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one
PubChem CID50995201
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name(5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CNC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1
InChIInChI=1S/C20H20N8O/c1-12(2)16-10-21-20(29)28(16)17-7-8-27-19(25-17)15(9-24-27)13-3-5-14(6-4-13)18-22-11-23-26-18/h3-9,11-12,16H,10H2,1-2H3,(H,21,29)(H,22,23,26)/t16-/m1/s1
InChIKeyZVKWJZKYAOIRIY-MRXNPFEDSA-N
XLogP2.74
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?
The IUPAC name of (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one (CID 50995201) is (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one is CC(C)[C@H]1CNC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1.
What is the InChIKey of (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?
The InChIKey is ZVKWJZKYAOIRIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N8O/c1-12(2)16-10-21-20(29)28(16)17-7-8-27-19(25-17)15(9-24-27)13-3-5-14(6-4-13)18-22-11-23-26-18/h3-9,11-12,16H,10H2,1-2H3,(H,21,29)(H,22,23,26)/t16-/m1/s1.
What are the key properties of (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?
(5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one has a molecular weight of 388.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propan-2-yl-1-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one is sourced from PubChem (CID 50995201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).