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

C24H27N7O2 — CID 67034467

IUPAC(4S)-1-(3-hydroxypropyl)-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(CCCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C24H27N7O2/c1-16(2)20-15-29(11-3-13-32)24(33)31(20)21-8-12-30-23(28-21)19(14-27-30)17-4-6-18(7-5-17)22-25-9-10-26-22/h4-10,12,14,16,20,32H,3,11,13,15H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyHXEFODVSWFNXBR-HXUWFJFHSA-N
MW445.53 g/mol
LogP3.44
Rot. Bonds7

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

(4S)-1-(3-hydroxypropyl)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 67034467) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is (4S)-1-(3-hydroxypropyl)-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-(3-hydroxypropyl)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one
PubChem CID67034467
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name(4S)-1-(3-hydroxypropyl)-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(CCCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1
InChIInChI=1S/C24H27N7O2/c1-16(2)20-15-29(11-3-13-32)24(33)31(20)21-8-12-30-23(28-21)19(14-27-30)17-4-6-18(7-5-17)22-25-9-10-26-22/h4-10,12,14,16,20,32H,3,11,13,15H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyHXEFODVSWFNXBR-HXUWFJFHSA-N
XLogP3.44
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-hydroxypropyl)-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-(3-hydroxypropyl)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one (CID 67034467) is (4S)-1-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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-(3-hydroxypropyl)-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(CCCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1.
What is the InChIKey of (4S)-1-(3-hydroxypropyl)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is HXEFODVSWFNXBR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-16(2)20-15-29(11-3-13-32)24(33)31(20)21-8-12-30-23(28-21)19(14-27-30)17-4-6-18(7-5-17)22-25-9-10-26-22/h4-10,12,14,16,20,32H,3,11,13,15H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of (4S)-1-(3-hydroxypropyl)-3-[3-[4-(1H-imidazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
(4S)-1-(3-hydroxypropyl)-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 445.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-hydroxypropyl)-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 67034467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).