(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one

C23H17N7O2 — CID 67034583

IUPAC(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C23H17N7O2/c31-23-30(19(14-32-23)18-3-1-2-9-24-18)20-8-12-29-22(28-20)17(13-27-29)15-4-6-16(7-5-15)21-25-10-11-26-21/h1-13,19H,14H2,(H,25,26)/t19-/m1/s1
InChIKeySOZAGVANEQOVMB-LJQANCHMSA-N
MW423.44 g/mol
LogP3.88
Rot. Bonds4

About (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one

(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one (PubChem CID 67034583) has the molecular formula C23H17N7O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one
PubChem CID67034583
Molecular FormulaC23H17N7O2
Molecular Weight423.44 g/mol
Exact Mass423.14
IUPAC Name(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C23H17N7O2/c31-23-30(19(14-32-23)18-3-1-2-9-24-18)20-8-12-29-22(28-20)17(13-27-29)15-4-6-16(7-5-15)21-25-10-11-26-21/h1-13,19H,14H2,(H,25,26)/t19-/m1/s1
InChIKeySOZAGVANEQOVMB-LJQANCHMSA-N
XLogP3.88
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one (CID 67034583) is (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1.
What is the InChIKey of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SOZAGVANEQOVMB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H17N7O2/c31-23-30(19(14-32-23)18-3-1-2-9-24-18)20-8-12-29-22(28-20)17(13-27-29)15-4-6-16(7-5-15)21-25-10-11-26-21/h1-13,19H,14H2,(H,25,26)/t19-/m1/s1.
What are the key properties of (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one has a molecular weight of 423.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-pyridin-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).