[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone

C17H18N6O3 — CID 167922775

IUPAC[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
SMILESCn1cc(O[C@@H]2CN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@H]2O)cn1
InChIInChI=1S/C17H18N6O3/c1-21-8-13(7-20-21)26-16-10-23(9-15(16)24)17(25)14-6-12(2-3-19-14)22-5-4-18-11-22/h2-8,11,15-16,24H,9-10H2,1H3/t15-,16-/m1/s1
InChIKeyHBGKCMZTVMBOHQ-HZPDHXFCSA-N
MW354.37 g/mol
LogP0.27
Rot. Bonds4

About [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone

[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone (PubChem CID 167922775) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
PubChem CID167922775
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
SMILESCn1cc(O[C@@H]2CN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@H]2O)cn1
InChIInChI=1S/C17H18N6O3/c1-21-8-13(7-20-21)26-16-10-23(9-15(16)24)17(25)14-6-12(2-3-19-14)22-5-4-18-11-22/h2-8,11,15-16,24H,9-10H2,1H3/t15-,16-/m1/s1
InChIKeyHBGKCMZTVMBOHQ-HZPDHXFCSA-N
XLogP0.27
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone 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 [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone (CID 167922775) is [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone is Cn1cc(O[C@@H]2CN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@H]2O)cn1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
The InChIKey is HBGKCMZTVMBOHQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-21-8-13(7-20-21)26-16-10-23(9-15(16)24)17(25)14-6-12(2-3-19-14)22-5-4-18-11-22/h2-8,11,15-16,24H,9-10H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone has a molecular weight of 354.37 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 167922775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).