4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one

C24H24N4O2 — CID 25057910

IUPAC4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2C[C@H]2CCCN2)c1
InChIInChI=1S/C24H24N4O2/c29-24-14-22(30-17-18-5-2-1-3-6-18)10-12-27(24)21-8-9-23-19(13-21)15-26-28(23)16-20-7-4-11-25-20/h1-3,5-6,8-10,12-15,20,25H,4,7,11,16-17H2/t20-/m1/s1
InChIKeyQKLSEEQZERDNCY-HXUWFJFHSA-N
MW400.48 g/mol
LogP3.52
Rot. Bonds6

About 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one

4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one (PubChem CID 25057910) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
PubChem CID25057910
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2C[C@H]2CCCN2)c1
InChIInChI=1S/C24H24N4O2/c29-24-14-22(30-17-18-5-2-1-3-6-18)10-12-27(24)21-8-9-23-19(13-21)15-26-28(23)16-20-7-4-11-25-20/h1-3,5-6,8-10,12-15,20,25H,4,7,11,16-17H2/t20-/m1/s1
InChIKeyQKLSEEQZERDNCY-HXUWFJFHSA-N
XLogP3.52
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one (CID 25057910) is 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2C[C@H]2CCCN2)c1.
What is the InChIKey of 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
The InChIKey is QKLSEEQZERDNCY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-24-14-22(30-17-18-5-2-1-3-6-18)10-12-27(24)21-8-9-23-19(13-21)15-26-28(23)16-20-7-4-11-25-20/h1-3,5-6,8-10,12-15,20,25H,4,7,11,16-17H2/t20-/m1/s1.
What are the key properties of 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one?
4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one has a molecular weight of 400.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25057910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).