2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride

C23H25ClFN5 — CID 159656023

IUPAC2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride
SMILESC.C[C@H](Cc1cc(-c2cn[nH]c2)cc(Cc2cnccn2)n1)c1ccc(F)cc1.Cl
InChIInChI=1S/C22H20FN5.CH4.ClH/c1-15(16-2-4-19(23)5-3-16)8-20-9-17(18-12-26-27-13-18)10-21(28-20)11-22-14-24-6-7-25-22;;/h2-7,9-10,12-15H,8,11H2,1H3,(H,26,27);1H4;1H/t15-;;/m1../s1
InChIKeyNFCJVQMUDBCHNQ-QCUBGVIVSA-N
MW425.94 g/mol
LogP5.40
Rot. Bonds6

About 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride

2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride (PubChem CID 159656023) has the molecular formula C23H25ClFN5 and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride.

Molecular Properties

Compound Name2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride
PubChem CID159656023
Molecular FormulaC23H25ClFN5
Molecular Weight425.94 g/mol
Exact Mass425.18
IUPAC Name2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride
SMILESC.C[C@H](Cc1cc(-c2cn[nH]c2)cc(Cc2cnccn2)n1)c1ccc(F)cc1.Cl
InChIInChI=1S/C22H20FN5.CH4.ClH/c1-15(16-2-4-19(23)5-3-16)8-20-9-17(18-12-26-27-13-18)10-21(28-20)11-22-14-24-6-7-25-22;;/h2-7,9-10,12-15H,8,11H2,1H3,(H,26,27);1H4;1H/t15-;;/m1../s1
InChIKeyNFCJVQMUDBCHNQ-QCUBGVIVSA-N
XLogP5.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine
CID 58521782
(Z)-but-2-enedioic acid;2-[(2R)-2-(4-fluorophenyl)propyl]-4-(pyrazin-2-ylmethyl)-6-(1H-pyrazol-4-yl)pyrimidine
CID 169424603
1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride
CID 162101229
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
CID 58521777
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
CID 58521779
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide
CID 58521649
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521764
2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 58521790
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole
CID 58521771
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521701
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile
CID 58521805
2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
CID 159266398

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride?
The IUPAC name of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride (CID 159656023) is 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride.
What is the SMILES notation for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride?
The canonical SMILES for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride is C.C[C@H](Cc1cc(-c2cn[nH]c2)cc(Cc2cnccn2)n1)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride?
The InChIKey is NFCJVQMUDBCHNQ-QCUBGVIVSA-N. The full InChI is InChI=1S/C22H20FN5.CH4.ClH/c1-15(16-2-4-19(23)5-3-16)8-20-9-17(18-12-26-27-13-18)10-21(28-20)11-22-14-24-6-7-25-22;;/h2-7,9-10,12-15H,8,11H2,1H3,(H,26,27);1H4;1H/t15-;;/m1../s1.
What are the key properties of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride?
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride is sourced from PubChem (CID 159656023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).