5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C30H32N4O4 — CID 118408013

IUPAC5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CC(O)CO)CC4)cc2)cc1
InChIInChI=1S/C30H32N4O4/c1-20(2)22-5-3-21(4-6-22)19-38-26-9-7-23(8-10-26)27-28(24-11-13-31-14-12-24)32-34-16-15-33(17-25(36)18-35)30(37)29(27)34/h3-14,20,25,35-36H,15-19H2,1-2H3
InChIKeyCHNQLNLHWUXWGN-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.12
Rot. Bonds9

About 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118408013) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118408013
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CC(O)CO)CC4)cc2)cc1
InChIInChI=1S/C30H32N4O4/c1-20(2)22-5-3-21(4-6-22)19-38-26-9-7-23(8-10-26)27-28(24-11-13-31-14-12-24)32-34-16-15-33(17-25(36)18-35)30(37)29(27)34/h3-14,20,25,35-36H,15-19H2,1-2H3
InChIKeyCHNQLNLHWUXWGN-UHFFFAOYSA-N
XLogP4.12
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118408013) is 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3C(=O)N(CC(O)CO)CC4)cc2)cc1.
What is the InChIKey of 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CHNQLNLHWUXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-20(2)22-5-3-21(4-6-22)19-38-26-9-7-23(8-10-26)27-28(24-11-13-31-14-12-24)32-34-16-15-33(17-25(36)18-35)30(37)29(27)34/h3-14,20,25,35-36H,15-19H2,1-2H3.
What are the key properties of 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 512.61 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118408013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).