(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

C30H23N3O — CID 164854140

IUPAC(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2ccccc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1c1ccccc1
InChIInChI=1S/C30H23N3O/c34-27-21-26(22-13-5-1-6-14-22)28-29(23-15-7-2-8-16-23)31-33(25-19-11-4-12-20-25)30(28)32(27)24-17-9-3-10-18-24/h1-20,26H,21H2/t26-/m1/s1
InChIKeyMMUDMHPOMMFNJW-AREMUKBSSA-N
MW441.53 g/mol
LogP6.74
Rot. Bonds4

About (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 164854140) has the molecular formula C30H23N3O and a molecular weight of 441.53 g/mol. Its IUPAC name is (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
PubChem CID164854140
Molecular FormulaC30H23N3O
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2ccccc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1c1ccccc1
InChIInChI=1S/C30H23N3O/c34-27-21-26(22-13-5-1-6-14-22)28-29(23-15-7-2-8-16-23)31-33(25-19-11-4-12-20-25)30(28)32(27)24-17-9-3-10-18-24/h1-20,26H,21H2/t26-/m1/s1
InChIKeyMMUDMHPOMMFNJW-AREMUKBSSA-N
XLogP6.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (CID 164854140) is (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is O=C1C[C@H](c2ccccc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1c1ccccc1.
What is the InChIKey of (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MMUDMHPOMMFNJW-AREMUKBSSA-N. The full InChI is InChI=1S/C30H23N3O/c34-27-21-26(22-13-5-1-6-14-22)28-29(23-15-7-2-8-16-23)31-33(25-19-11-4-12-20-25)30(28)32(27)24-17-9-3-10-18-24/h1-20,26H,21H2/t26-/m1/s1.
What are the key properties of (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 441.53 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 164854140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).