4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one

C26H28N4O3 — CID 118284415

IUPAC4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one
SMILESO=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1
InChIInChI=1S/C26H28N4O3/c31-22-9-11-28(17-22)13-14-30-24-8-5-21(15-20(24)16-27-30)29-12-10-25(26(29)32)33-23-6-3-19(4-7-23)18-1-2-18/h3-8,10,15-16,18,22,31H,1-2,9,11-14,17H2/t22-/m0/s1
InChIKeyLVOVERFNXBXWBA-QFIPXVFZSA-N
MW444.54 g/mol
LogP3.29
Rot. Bonds7

About 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one

4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one (PubChem CID 118284415) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one
PubChem CID118284415
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one
SMILESO=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1
InChIInChI=1S/C26H28N4O3/c31-22-9-11-28(17-22)13-14-30-24-8-5-21(15-20(24)16-27-30)29-12-10-25(26(29)32)33-23-6-3-19(4-7-23)18-1-2-18/h3-8,10,15-16,18,22,31H,1-2,9,11-14,17H2/t22-/m0/s1
InChIKeyLVOVERFNXBXWBA-QFIPXVFZSA-N
XLogP3.29
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The IUPAC name of 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one (CID 118284415) is 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one is O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The InChIKey is LVOVERFNXBXWBA-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-22-9-11-28(17-22)13-14-30-24-8-5-21(15-20(24)16-27-30)29-12-10-25(26(29)32)33-23-6-3-19(4-7-23)18-1-2-18/h3-8,10,15-16,18,22,31H,1-2,9,11-14,17H2/t22-/m0/s1.
What are the key properties of 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one?
4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one has a molecular weight of 444.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).