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

C24H27N7O3 — CID 67035283

IUPAC(4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C[C@H](O)CO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C24H27N7O3/c1-15(2)20-13-29(12-18(33)14-32)24(34)31(20)21-7-10-30-23(28-21)19(11-27-30)16-3-5-17(6-4-16)22-25-8-9-26-22/h3-11,15,18,20,32-33H,12-14H2,1-2H3,(H,25,26)/t18-,20+/m0/s1
InChIKeyRBXJMCIZNKMHJM-AZUAARDMSA-N
MW461.53 g/mol
LogP2.41
Rot. Bonds7

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

(4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 67035283) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one
PubChem CID67035283
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name(4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C[C@H](O)CO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C24H27N7O3/c1-15(2)20-13-29(12-18(33)14-32)24(34)31(20)21-7-10-30-23(28-21)19(11-27-30)16-3-5-17(6-4-16)22-25-8-9-26-22/h3-11,15,18,20,32-33H,12-14H2,1-2H3,(H,25,26)/t18-,20+/m0/s1
InChIKeyRBXJMCIZNKMHJM-AZUAARDMSA-N
XLogP2.41
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one (CID 67035283) is (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(C[C@H](O)CO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1.
What is the InChIKey of (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is RBXJMCIZNKMHJM-AZUAARDMSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-15(2)20-13-29(12-18(33)14-32)24(34)31(20)21-7-10-30-23(28-21)19(11-27-30)16-3-5-17(6-4-16)22-25-8-9-26-22/h3-11,15,18,20,32-33H,12-14H2,1-2H3,(H,25,26)/t18-,20+/m0/s1.
What are the key properties of (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
(4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 461.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(2S)-2,3-dihydroxypropyl]-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 67035283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).