2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone

C25H26N6O3 — CID 87055602

IUPAC2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone
SMILESCN(Cc1cnc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1)[C@@H]1CCN(C(=O)CO)C1
InChIInChI=1S/C25H26N6O3/c1-30(20-7-9-31(15-20)25(33)16-32)14-17-10-18-2-4-21(11-23(18)26-12-17)34-24-5-3-19(13-27-24)22-6-8-28-29-22/h2-6,8,10-13,20,32H,7,9,14-16H2,1H3,(H,28,29)/t20-/m1/s1
InChIKeyZTWXFZSEBOQTMV-HXUWFJFHSA-N
MW458.52 g/mol
LogP2.84
Rot. Bonds7

About 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone

2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone (PubChem CID 87055602) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone
PubChem CID87055602
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone
SMILESCN(Cc1cnc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1)[C@@H]1CCN(C(=O)CO)C1
InChIInChI=1S/C25H26N6O3/c1-30(20-7-9-31(15-20)25(33)16-32)14-17-10-18-2-4-21(11-23(18)26-12-17)34-24-5-3-19(13-27-24)22-6-8-28-29-22/h2-6,8,10-13,20,32H,7,9,14-16H2,1H3,(H,28,29)/t20-/m1/s1
InChIKeyZTWXFZSEBOQTMV-HXUWFJFHSA-N
XLogP2.84
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone 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 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone (CID 87055602) is 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone is CN(Cc1cnc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1)[C@@H]1CCN(C(=O)CO)C1.
What is the InChIKey of 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone?
The InChIKey is ZTWXFZSEBOQTMV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-30(20-7-9-31(15-20)25(33)16-32)14-17-10-18-2-4-21(11-23(18)26-12-17)34-24-5-3-19(13-27-24)22-6-8-28-29-22/h2-6,8,10-13,20,32H,7,9,14-16H2,1H3,(H,28,29)/t20-/m1/s1.
What are the key properties of 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone?
2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone has a molecular weight of 458.52 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 87055602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).