1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C24H24N4O3 — CID 25054551

IUPAC1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2C[C@@H](O)CN2)c1
InChIInChI=1S/C24H24N4O3/c29-21-11-19(25-14-21)15-28-23-7-6-20(10-18(23)13-26-28)27-9-8-22(12-24(27)30)31-16-17-4-2-1-3-5-17/h1-10,12-13,19,21,25,29H,11,14-16H2/t19?,21-/m1/s1
InChIKeyKGGDACGUSPXIPF-VGAJERRHSA-N
MW416.48 g/mol
LogP2.49
Rot. Bonds6

About 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25054551) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25054551
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2C[C@@H](O)CN2)c1
InChIInChI=1S/C24H24N4O3/c29-21-11-19(25-14-21)15-28-23-7-6-20(10-18(23)13-26-28)27-9-8-22(12-24(27)30)31-16-17-4-2-1-3-5-17/h1-10,12-13,19,21,25,29H,11,14-16H2/t19?,21-/m1/s1
InChIKeyKGGDACGUSPXIPF-VGAJERRHSA-N
XLogP2.49
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25054551) is 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CC2C[C@@H](O)CN2)c1.
What is the InChIKey of 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is KGGDACGUSPXIPF-VGAJERRHSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-21-11-19(25-14-21)15-28-23-7-6-20(10-18(23)13-26-28)27-9-8-22(12-24(27)30)31-16-17-4-2-1-3-5-17/h1-10,12-13,19,21,25,29H,11,14-16H2/t19?,21-/m1/s1.
What are the key properties of 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 416.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(4R)-4-hydroxypyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25054551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).