1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C26H28N4O3 — CID 25057911

IUPAC1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCO[C@H]1CCN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1
InChIInChI=1S/C26H28N4O3/c1-32-24-9-11-28(18-24)13-14-30-25-8-7-22(15-21(25)17-27-30)29-12-10-23(16-26(29)31)33-19-20-5-3-2-4-6-20/h2-8,10,12,15-17,24H,9,11,13-14,18-19H2,1H3/t24-/m0/s1
InChIKeyYZVQCOSNDJIKGZ-DEOSSOPVSA-N
MW444.54 g/mol
LogP3.49
Rot. Bonds8

About 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25057911) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25057911
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCO[C@H]1CCN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1
InChIInChI=1S/C26H28N4O3/c1-32-24-9-11-28(18-24)13-14-30-25-8-7-22(15-21(25)17-27-30)29-12-10-23(16-26(29)31)33-19-20-5-3-2-4-6-20/h2-8,10,12,15-17,24H,9,11,13-14,18-19H2,1H3/t24-/m0/s1
InChIKeyYZVQCOSNDJIKGZ-DEOSSOPVSA-N
XLogP3.49
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25057911) is 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is CO[C@H]1CCN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1.
What is the InChIKey of 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is YZVQCOSNDJIKGZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-32-24-9-11-28(18-24)13-14-30-25-8-7-22(15-21(25)17-27-30)29-12-10-23(16-26(29)31)33-19-20-5-3-2-4-6-20/h2-8,10,12,15-17,24H,9,11,13-14,18-19H2,1H3/t24-/m0/s1.
What are the key properties of 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 444.54 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25057911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).